2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid

C16H19N3O4 — CID 138999557

IUPAC2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccc(N2CCNC2=O)cc1)(C(=O)O)C1CC1
InChIInChI=1S/C16H19N3O4/c1-16(14(21)22,11-4-5-11)18-13(20)10-2-6-12(7-3-10)19-9-8-17-15(19)23/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,23)(H,18,20)(H,21,22)
InChIKeyRLSLZZBPHCGTPU-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.20
Rot. Bonds5

About 2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid

2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid (PubChem CID 138999557) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
PubChem CID138999557
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccc(N2CCNC2=O)cc1)(C(=O)O)C1CC1
InChIInChI=1S/C16H19N3O4/c1-16(14(21)22,11-4-5-11)18-13(20)10-2-6-12(7-3-10)19-9-8-17-15(19)23/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,23)(H,18,20)(H,21,22)
InChIKeyRLSLZZBPHCGTPU-UHFFFAOYSA-N
XLogP1.20
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid with MolForge

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 119574273
2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid
CID 43163018
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119607404
2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid
CID 43341278
(2S)-2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]propanoic acid
CID 97337373
2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid
CID 61160610
(2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
CID 119360751
N-(2,6-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 110857589
N-(2-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 46687823
1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120539085
(2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid
CID 119362177
4-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299854

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid (CID 138999557) is 2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid is CC(NC(=O)c1ccc(N2CCNC2=O)cc1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid?
The InChIKey is RLSLZZBPHCGTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-16(14(21)22,11-4-5-11)18-13(20)10-2-6-12(7-3-10)19-9-8-17-15(19)23/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,23)(H,18,20)(H,21,22).
What are the key properties of 2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid?
2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid has a molecular weight of 317.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 138999557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).