(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid

C12H13N3O4 — CID 12899876

IUPAC(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(O)[C@H](NC(=O)N1CCNC1=O)c1ccccc1
InChIInChI=1S/C12H13N3O4/c16-10(17)9(8-4-2-1-3-5-8)14-12(19)15-7-6-13-11(15)18/h1-5,9H,6-7H2,(H,13,18)(H,14,19)(H,16,17)/t9-/m1/s1
InChIKeyLUOIUYFHEOQSJK-SECBINFHSA-N
MW263.25 g/mol
LogP0.55
Rot. Bonds3

About (2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid

(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid (PubChem CID 12899876) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
PubChem CID12899876
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(O)[C@H](NC(=O)N1CCNC1=O)c1ccccc1
InChIInChI=1S/C12H13N3O4/c16-10(17)9(8-4-2-1-3-5-8)14-12(19)15-7-6-13-11(15)18/h1-5,9H,6-7H2,(H,13,18)(H,14,19)(H,16,17)/t9-/m1/s1
InChIKeyLUOIUYFHEOQSJK-SECBINFHSA-N
XLogP0.55
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid (CID 12899876) is (2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid is O=C(O)[C@H](NC(=O)N1CCNC1=O)c1ccccc1.
What is the InChIKey of (2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is LUOIUYFHEOQSJK-SECBINFHSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-10(17)9(8-4-2-1-3-5-8)14-12(19)15-7-6-13-11(15)18/h1-5,9H,6-7H2,(H,13,18)(H,14,19)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 263.25 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 12899876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).