3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid

C15H22N2O3 — CID 64694951

IUPAC3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCCc1ccccc1CNC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-12-7-5-6-8-13(12)9-16-15(20)17(3)10-11(2)14(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGBQXFKREYWSQRD-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.11
Rot. Bonds6

About 3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid

3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 64694951) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID64694951
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCCc1ccccc1CNC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-12-7-5-6-8-13(12)9-16-15(20)17(3)10-11(2)14(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGBQXFKREYWSQRD-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 106900482
2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
CID 81318509
3-[1-benzofuran-3-ylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 122002286
3-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122003490
2-methyl-3-[methyl-[2-(2-methylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 79757557
2-methyl-3-[methyl-[(3-methylphenyl)methylcarbamoyl]amino]propanoic acid
CID 55007666
3-[(2-methoxy-4-methylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122006283
3-[2-(2-ethoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000462
3-[(2-methoxyquinolin-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122003996
2-[2-[[[ethyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
CID 81317762
2-[2-[[[2-cyanopropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
CID 81311145
3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010216

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid (CID 64694951) is 3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid is CCc1ccccc1CNC(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is GBQXFKREYWSQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-12-7-5-6-8-13(12)9-16-15(20)17(3)10-11(2)14(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 64694951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).