(2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid

C18H24N2O4 — CID 119362065

IUPAC(2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)O
InChIInChI=1S/C18H24N2O4/c1-12(2)10-15(18(23)24)19-17(22)14-7-5-13(6-8-14)11-20-9-3-4-16(20)21/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,19,22)(H,23,24)/t15-/m0/s1
InChIKeySDAFJIRRGPKRKU-HNNXBMFYSA-N
MW332.40 g/mol
LogP2.04
Rot. Bonds7

About (2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid

(2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid (PubChem CID 119362065) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid
PubChem CID119362065
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)O
InChIInChI=1S/C18H24N2O4/c1-12(2)10-15(18(23)24)19-17(22)14-7-5-13(6-8-14)11-20-9-3-4-16(20)21/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,19,22)(H,23,24)/t15-/m0/s1
InChIKeySDAFJIRRGPKRKU-HNNXBMFYSA-N
XLogP2.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid with MolForge

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Related Compounds

(E)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]hex-4-enoic acid
CID 120693628
2-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119188265
2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120541421
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24625973
N-[(1R)-1-(furan-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9482225
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 31735604
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 8937962
N-[2-(dimethylamino)-1-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24504344

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid (CID 119362065) is (2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid?
The InChIKey is SDAFJIRRGPKRKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(2)10-15(18(23)24)19-17(22)14-7-5-13(6-8-14)11-20-9-3-4-16(20)21/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,19,22)(H,23,24)/t15-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119362065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).