2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid

C15H22N2O3 — CID 63064367

IUPAC2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(2)9-17(10-14(18)19)15(20)16-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyBGICNGGPIHLOIW-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.50
Rot. Bonds6

About 2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid

2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid (PubChem CID 63064367) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid
PubChem CID63064367
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(2)9-17(10-14(18)19)15(20)16-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyBGICNGGPIHLOIW-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066149
2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid
CID 63064912
2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066150
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316
2-[2-methylpropyl-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]acetic acid
CID 63065984
2-[1,3-benzothiazol-2-ylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 63066489
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid
CID 55246325
1-(5-methylhexan-2-yl)-3-(1-phenylethyl)urea
CID 78834581
2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid
CID 63065790
2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid
CID 61199222
2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 103995670

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid (CID 63064367) is 2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid?
The InChIKey is BGICNGGPIHLOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)9-17(10-14(18)19)15(20)16-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid?
2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 63064367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).