(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid

C17H23N3O4 — CID 119372569

IUPAC(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
SMILESCN(C)CCN1CC(C(=O)N[C@H](C(=O)O)c2ccccc2)CC1=O
InChIInChI=1S/C17H23N3O4/c1-19(2)8-9-20-11-13(10-14(20)21)16(22)18-15(17(23)24)12-6-4-3-5-7-12/h3-7,13,15H,8-11H2,1-2H3,(H,18,22)(H,23,24)/t13?,15-/m0/s1
InChIKeyBYRGKZLUUSQKEH-WUJWULDRSA-N
MW333.39 g/mol
LogP0.34
Rot. Bonds7

About (2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid

(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid (PubChem CID 119372569) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
PubChem CID119372569
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
SMILESCN(C)CCN1CC(C(=O)N[C@H](C(=O)O)c2ccccc2)CC1=O
InChIInChI=1S/C17H23N3O4/c1-19(2)8-9-20-11-13(10-14(20)21)16(22)18-15(17(23)24)12-6-4-3-5-7-12/h3-7,13,15H,8-11H2,1-2H3,(H,18,22)(H,23,24)/t13?,15-/m0/s1
InChIKeyBYRGKZLUUSQKEH-WUJWULDRSA-N
XLogP0.34
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid with MolForge

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Related Compounds

(2S)-2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 108800383
(2S)-2-[[(3R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 125119938
2-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119197288
(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 124701749
(2S)-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]-2-phenylacetic acid
CID 119372748
2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 108800194
1-(3-methylbutyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113185589
(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398236
(3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide
CID 42395118
N-(2,6-diethylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182868
N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787376
(3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide
CID 95931367

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid (CID 119372569) is (2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid is CN(C)CCN1CC(C(=O)N[C@H](C(=O)O)c2ccccc2)CC1=O.
What is the InChIKey of (2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is BYRGKZLUUSQKEH-WUJWULDRSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-19(2)8-9-20-11-13(10-14(20)21)16(22)18-15(17(23)24)12-6-4-3-5-7-12/h3-7,13,15H,8-11H2,1-2H3,(H,18,22)(H,23,24)/t13?,15-/m0/s1.
What are the key properties of (2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 333.39 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119372569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).