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124045-49-4 | Butanoic acid, 4-[methyl[4-(1-pyrrolidinyl)-2-butyn-1-yl]amino]-4-oxo-, methyl ester
CAS No: 124045-49-4 Catalog No: AG000LFV MDL No:
Product Description
Catalog Number:
AG000LFV
Chemical Name:
Butanoic acid, 4-[methyl[4-(1-pyrrolidinyl)-2-butyn-1-yl]amino]-4-oxo-, methyl ester
CAS Number:
124045-49-4
Molecular Formula:
C14H22N2O3
Molecular Weight:
266.3361
IUPAC Name:
methyl 4-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-4-oxobutanoate
InChI:
InChI=1S/C14H22N2O3/c1-15(13(17)7-8-14(18)19-2)9-3-4-10-16-11-5-6-12-16/h5-12H2,1-2H3
InChI Key:
RIVRWNPTJMEYJD-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)N(CC#CCN1CCCC1)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.341g/mol
Monoisotopic Mass:
266.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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