(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid

C13H14ClN3O4 — CID 119244300

IUPAC(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)C(=O)O
InChIInChI=1S/C13H14ClN3O4/c1-7(12(19)20)16-11(18)9-6-8(2-3-10(9)14)17-5-4-15-13(17)21/h2-3,6-7H,4-5H2,1H3,(H,15,21)(H,16,18)(H,19,20)/t7-/m1/s1
InChIKeyBZHGZABITMQFGQ-SSDOTTSWSA-N
MW311.73 g/mol
LogP1.07
Rot. Bonds4

About (2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid

(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid (PubChem CID 119244300) has the molecular formula C13H14ClN3O4 and a molecular weight of 311.73 g/mol. Its IUPAC name is (2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
PubChem CID119244300
Molecular FormulaC13H14ClN3O4
Molecular Weight311.73 g/mol
Exact Mass311.07
IUPAC Name(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)C(=O)O
InChIInChI=1S/C13H14ClN3O4/c1-7(12(19)20)16-11(18)9-6-8(2-3-10(9)14)17-5-4-15-13(17)21/h2-3,6-7H,4-5H2,1H3,(H,15,21)(H,16,18)(H,19,20)/t7-/m1/s1
InChIKeyBZHGZABITMQFGQ-SSDOTTSWSA-N
XLogP1.07
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid (CID 119244300) is (2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid is C[C@@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid?
The InChIKey is BZHGZABITMQFGQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H14ClN3O4/c1-7(12(19)20)16-11(18)9-6-8(2-3-10(9)14)17-5-4-15-13(17)21/h2-3,6-7H,4-5H2,1H3,(H,15,21)(H,16,18)(H,19,20)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid?
(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid has a molecular weight of 311.73 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119244300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).