2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid

C12H15N3O4 — CID 43170816

IUPAC2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid
SMILESCC(NC(=O)CNC(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C12H15N3O4/c1-8(11(17)18)14-10(16)7-13-12(19)15-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyUGJRSWJIVFLHRK-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.40
Rot. Bonds5

About 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid

2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid (PubChem CID 43170816) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid
PubChem CID43170816
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid
SMILESCC(NC(=O)CNC(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C12H15N3O4/c1-8(11(17)18)14-10(16)7-13-12(19)15-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyUGJRSWJIVFLHRK-UHFFFAOYSA-N
XLogP0.40
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate
CID 61381164
2-methyl-4-[[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
CID 80536782
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide
CID 103867138
2-[(4-phenylphenyl)carbamoylamino]propanoic acid
CID 62254578
N-(2-hydroxy-2-methylpropyl)-2-(phenylcarbamoylamino)acetamide
CID 65109810
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 25483366
1-(2-chloropropyl)-3-phenylurea
CID 70181020
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 16785652
(2S)-2-[[2-[(4-bromophenyl)carbamoylamino]acetyl]amino]-3-methylbutanoic acid
CID 126520524
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
(2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide
CID 94441497

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid (CID 43170816) is 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid is CC(NC(=O)CNC(=O)Nc1ccccc1)C(=O)O.
What is the InChIKey of 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid?
The InChIKey is UGJRSWJIVFLHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-8(11(17)18)14-10(16)7-13-12(19)15-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,16)(H,17,18)(H2,13,15,19).
What are the key properties of 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid?
2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid has a molecular weight of 265.27 g/mol, XLogP of 0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid is sourced from PubChem (CID 43170816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).