2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid

C20H21N3O4 — CID 108876522

IUPAC2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NC2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H21N3O4/c24-18-11-17(13-23(18)12-15-4-2-1-3-5-15)22-20(27)21-16-8-6-14(7-9-16)10-19(25)26/h1-9,17H,10-13H2,(H,25,26)(H2,21,22,27)
InChIKeyNJIANHDNVYKZDK-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.24
Rot. Bonds6

About 2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid

2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid (PubChem CID 108876522) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid
PubChem CID108876522
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NC2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H21N3O4/c24-18-11-17(13-23(18)12-15-4-2-1-3-5-15)22-20(27)21-16-8-6-14(7-9-16)10-19(25)26/h1-9,17H,10-13H2,(H,25,26)(H2,21,22,27)
InChIKeyNJIANHDNVYKZDK-UHFFFAOYSA-N
XLogP2.24
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378
1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea
CID 108876474
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
CID 108876636
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,6-difluorophenyl)urea
CID 108876524
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876461
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea
CID 108876657
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-phenylbutyl)urea
CID 108876718
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108876454
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 97275872
N-(1-benzyl-5-oxopyrrolidin-3-yl)thiomorpholine-4-carboxamide
CID 56826197

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid (CID 108876522) is 2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)NC2CC(=O)N(Cc3ccccc3)C2)cc1.
What is the InChIKey of 2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid?
The InChIKey is NJIANHDNVYKZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-18-11-17(13-23(18)12-15-4-2-1-3-5-15)22-20(27)21-16-8-6-14(7-9-16)10-19(25)26/h1-9,17H,10-13H2,(H,25,26)(H2,21,22,27).
What are the key properties of 2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid?
2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid has a molecular weight of 367.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 108876522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).