2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid

C16H18N2O4 — CID 119213332

IUPAC2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H18N2O4/c19-13-5-2-8-18(13)12-4-1-3-11(9-12)15(20)17-14(16(21)22)10-6-7-10/h1,3-4,9-10,14H,2,5-8H2,(H,17,20)(H,21,22)
InChIKeyLGZIITYLOKCDND-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.41
Rot. Bonds5

About 2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid

2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid (PubChem CID 119213332) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
PubChem CID119213332
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H18N2O4/c19-13-5-2-8-18(13)12-4-1-3-11(9-12)15(20)17-14(16(21)22)10-6-7-10/h1,3-4,9-10,14H,2,5-8H2,(H,17,20)(H,21,22)
InChIKeyLGZIITYLOKCDND-UHFFFAOYSA-N
XLogP1.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid
CID 51521923
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
(E)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]hex-4-enoic acid
CID 120692659
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9470704
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium
CID 8938357

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid (CID 119213332) is 2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid?
The InChIKey is LGZIITYLOKCDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-13-5-2-8-18(13)12-4-1-3-11(9-12)15(20)17-14(16(21)22)10-6-7-10/h1,3-4,9-10,14H,2,5-8H2,(H,17,20)(H,21,22).
What are the key properties of 2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid?
2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 119213332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).