4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid

C19H26N2O4 — CID 124691395

IUPAC4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESC[C@@H](c1ccccc1)N1C[C@@H](C(=O)NC(C)(C)CCC(=O)O)CC1=O
InChIInChI=1S/C19H26N2O4/c1-13(14-7-5-4-6-8-14)21-12-15(11-16(21)22)18(25)20-19(2,3)10-9-17(23)24/h4-8,13,15H,9-12H2,1-3H3,(H,20,25)(H,23,24)/t13-,15-/m0/s1
InChIKeyLAYAKINYEGQMEZ-ZFWWWQNUSA-N
MW346.43 g/mol
LogP2.36
Rot. Bonds7

About 4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid

4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid (PubChem CID 124691395) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid
PubChem CID124691395
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESC[C@@H](c1ccccc1)N1C[C@@H](C(=O)NC(C)(C)CCC(=O)O)CC1=O
InChIInChI=1S/C19H26N2O4/c1-13(14-7-5-4-6-8-14)21-12-15(11-16(21)22)18(25)20-19(2,3)10-9-17(23)24/h4-8,13,15H,9-12H2,1-3H3,(H,20,25)(H,23,24)/t13-,15-/m0/s1
InChIKeyLAYAKINYEGQMEZ-ZFWWWQNUSA-N
XLogP2.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 119521311
4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 124682956
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
(4S)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 124626219
(4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 124626221
N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380
N-(2-aminoethyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119381978
4-[[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 124690839
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 120945493
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540900
4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119204598

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid (CID 124691395) is 4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid is C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NC(C)(C)CCC(=O)O)CC1=O.
What is the InChIKey of 4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is LAYAKINYEGQMEZ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13(14-7-5-4-6-8-14)21-12-15(11-16(21)22)18(25)20-19(2,3)10-9-17(23)24/h4-8,13,15H,9-12H2,1-3H3,(H,20,25)(H,23,24)/t13-,15-/m0/s1.
What are the key properties of 4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid?
4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 124691395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).