(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid

C15H18ClN3O4 — CID 119359827

IUPAC(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)C(=O)O
InChIInChI=1S/C15H18ClN3O4/c1-8(2)12(14(21)22)18-13(20)10-7-9(3-4-11(10)16)19-6-5-17-15(19)23/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)/t12-/m0/s1
InChIKeyULYQEQBACPAYPG-LBPRGKRZSA-N
MW339.78 g/mol
LogP1.71
Rot. Bonds5

About (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid

(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid (PubChem CID 119359827) has the molecular formula C15H18ClN3O4 and a molecular weight of 339.78 g/mol. Its IUPAC name is (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid
PubChem CID119359827
Molecular FormulaC15H18ClN3O4
Molecular Weight339.78 g/mol
Exact Mass339.10
IUPAC Name(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)C(=O)O
InChIInChI=1S/C15H18ClN3O4/c1-8(2)12(14(21)22)18-13(20)10-7-9(3-4-11(10)16)19-6-5-17-15(19)23/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)/t12-/m0/s1
InChIKeyULYQEQBACPAYPG-LBPRGKRZSA-N
XLogP1.71
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119244300
(2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
CID 119360751
(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 119372405
(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 119367709
2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119253358
N-(3-amino-2-methylpropyl)-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 119998409
2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide
CID 119504449
3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid
CID 119174361
2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid
CID 119217782
2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 23154771
2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 120513273
(E)-2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]hex-4-enoic acid
CID 120694260

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid (CID 119359827) is (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid is CC(C)[C@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid?
The InChIKey is ULYQEQBACPAYPG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18ClN3O4/c1-8(2)12(14(21)22)18-13(20)10-7-9(3-4-11(10)16)19-6-5-17-15(19)23/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid?
(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid has a molecular weight of 339.78 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 119359827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).