(2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid

C15H19N3O4 — CID 119360751

IUPAC(2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)C(=O)O
InChIInChI=1S/C15H19N3O4/c1-9(2)12(14(20)21)17-13(19)10-3-5-11(6-4-10)18-8-7-16-15(18)22/h3-6,9,12H,7-8H2,1-2H3,(H,16,22)(H,17,19)(H,20,21)/t12-/m0/s1
InChIKeyYEUAKLSQFVNEOM-LBPRGKRZSA-N
MW305.33 g/mol
LogP1.06
Rot. Bonds5

About (2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid

(2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid (PubChem CID 119360751) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
PubChem CID119360751
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)C(=O)O
InChIInChI=1S/C15H19N3O4/c1-9(2)12(14(20)21)17-13(19)10-3-5-11(6-4-10)18-8-7-16-15(18)22/h3-6,9,12H,7-8H2,1-2H3,(H,16,22)(H,17,19)(H,20,21)/t12-/m0/s1
InChIKeyYEUAKLSQFVNEOM-LBPRGKRZSA-N
XLogP1.06
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid
CID 119359827
(2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid
CID 119362177
2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 23154771
(2S)-3-methyl-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
CID 119360362
N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299247
N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 119497450
N-(2,6-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 110857589
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119607404
(2S)-2-[(4-carbamoylbenzoyl)amino]-3-methylbutanoic acid
CID 61137378
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
N-ethyl-4-(2-oxoimidazolidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 51299130

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid (CID 119360751) is (2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid is CC(C)[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid?
The InChIKey is YEUAKLSQFVNEOM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9(2)12(14(20)21)17-13(19)10-3-5-11(6-4-10)18-8-7-16-15(18)22/h3-6,9,12H,7-8H2,1-2H3,(H,16,22)(H,17,19)(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid?
(2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid has a molecular weight of 305.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid is sourced from PubChem (CID 119360751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).