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

C14H16N2O4 — CID 119137095

IUPAC2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C14H16N2O4/c17-12-2-1-7-16(12)9-10-3-5-11(6-4-10)14(20)15-8-13(18)19/h3-6H,1-2,7-9H2,(H,15,20)(H,18,19)
InChIKeyXKCQRZCPQIHVNG-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.62
Rot. Bonds5

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

2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid (PubChem CID 119137095) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
PubChem CID119137095
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C14H16N2O4/c17-12-2-1-7-16(12)9-10-3-5-11(6-4-10)14(20)15-8-13(18)19/h3-6H,1-2,7-9H2,(H,15,20)(H,18,19)
InChIKeyXKCQRZCPQIHVNG-UHFFFAOYSA-N
XLogP0.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773
N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32686719
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 51195842
N-[3-(dimethylamino)propyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 43910375
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
CID 47013997
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
4-morpholin-4-yl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46974678
N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 86990134
3,4-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 96545359
N-[(2R)-2-(diethylamino)-2-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 52524579

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid (CID 119137095) is 2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid?
The InChIKey is XKCQRZCPQIHVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-12-2-1-7-16(12)9-10-3-5-11(6-4-10)14(20)15-8-13(18)19/h3-6H,1-2,7-9H2,(H,15,20)(H,18,19).
What are the key properties of 2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid?
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid has a molecular weight of 276.29 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid is sourced from PubChem (CID 119137095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).