2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid

C13H18N2O3 — CID 55096880

IUPAC2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid
SMILESCCc1ccccc1NC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-4-10-7-5-6-8-11(10)14-13(18)15(3)9(2)12(16)17/h5-9H,4H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyPEPWMXDDWQOFGA-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.19
Rot. Bonds4

About 2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid

2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid (PubChem CID 55096880) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid
PubChem CID55096880
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid
SMILESCCc1ccccc1NC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-4-10-7-5-6-8-11(10)14-13(18)15(3)9(2)12(16)17/h5-9H,4H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyPEPWMXDDWQOFGA-UHFFFAOYSA-N
XLogP2.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 102907053
2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid
CID 62637000
2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 104553186
(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820218
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99697990
2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 62627248
3-[2-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]phenyl]propanoic acid
CID 107274078
2-[(2-cyano-3-fluorophenyl)carbamoyl-methylamino]propanoic acid
CID 62639026
2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]benzoic acid
CID 112662993
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid?
The IUPAC name of 2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid (CID 55096880) is 2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid is CCc1ccccc1NC(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid?
The InChIKey is PEPWMXDDWQOFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-10-7-5-6-8-11(10)14-13(18)15(3)9(2)12(16)17/h5-9H,4H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid?
2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 55096880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).