2-(carbamoylamino)-3-phenylpropanoic acid

C10H12N2O3 — CID 2999670

IUPAC2-(carbamoylamino)-3-phenylpropanoic acid
SMILESNC(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)
InChIKeyIPWQOZCSQLTKOI-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.35
Rot. Bonds4

About 2-(carbamoylamino)-3-phenylpropanoic acid

2-(carbamoylamino)-3-phenylpropanoic acid (PubChem CID 2999670) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-3-phenylpropanoic acid
PubChem CID2999670
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(carbamoylamino)-3-phenylpropanoic acid
SMILESNC(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)
InChIKeyIPWQOZCSQLTKOI-UHFFFAOYSA-N
XLogP0.35
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

L-Phenylalanine
CID 6140
Nateglinide
CID 5311309
D-Phenylalanine
CID 71567
Dl-Phenylalanine
CID 994
Phenylacetylglutamine
CID 92258
N-Acetyl-L-phenylalanine
CID 74839
Phenylacetylglycine
CID 68144
Phenylpropionylglycine
CID 152323
L-Phenylalanyl-L-phenylalanine
CID 6993090
Phe-Gly
CID 6992304
Afalanine
CID 2000
Sch 32615
CID 5486715

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-phenylpropanoic acid?
The IUPAC name of 2-(carbamoylamino)-3-phenylpropanoic acid (CID 2999670) is 2-(carbamoylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(carbamoylamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-(carbamoylamino)-3-phenylpropanoic acid is NC(=O)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(carbamoylamino)-3-phenylpropanoic acid?
The InChIKey is IPWQOZCSQLTKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15).
What are the key properties of 2-(carbamoylamino)-3-phenylpropanoic acid?
2-(carbamoylamino)-3-phenylpropanoic acid has a molecular weight of 208.22 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 2999670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).