3-[(2-methylphenyl)carbamoylamino]propanoic acid

C11H14N2O3 — CID 28510811

IUPAC3-[(2-methylphenyl)carbamoylamino]propanoic acid
SMILESCc1ccccc1NC(=O)NCCC(=O)O
InChIInChI=1S/C11H14N2O3/c1-8-4-2-3-5-9(8)13-11(16)12-7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyMJHFVEGEAVCMDT-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.59
Rot. Bonds4

About 3-[(2-methylphenyl)carbamoylamino]propanoic acid

3-[(2-methylphenyl)carbamoylamino]propanoic acid (PubChem CID 28510811) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-[(2-methylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methylphenyl)carbamoylamino]propanoic acid
PubChem CID28510811
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-[(2-methylphenyl)carbamoylamino]propanoic acid
SMILESCc1ccccc1NC(=O)NCCC(=O)O
InChIInChI=1S/C11H14N2O3/c1-8-4-2-3-5-9(8)13-11(16)12-7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyMJHFVEGEAVCMDT-UHFFFAOYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(2-methylphenyl)carbamoylamino]propanoic acid (CID 28510811) is 3-[(2-methylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2-methylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2-methylphenyl)carbamoylamino]propanoic acid is Cc1ccccc1NC(=O)NCCC(=O)O.
What is the InChIKey of 3-[(2-methylphenyl)carbamoylamino]propanoic acid?
The InChIKey is MJHFVEGEAVCMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-4-2-3-5-9(8)13-11(16)12-7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-[(2-methylphenyl)carbamoylamino]propanoic acid?
3-[(2-methylphenyl)carbamoylamino]propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 28510811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).