2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid

C13H18N2O3 — CID 55133981

IUPAC2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-9-15(10-12(16)17)13(18)14(2)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyMNHTZLGXOOBEEQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.04
Rot. Bonds5

About 2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid

2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid (PubChem CID 55133981) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid
PubChem CID55133981
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-9-15(10-12(16)17)13(18)14(2)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyMNHTZLGXOOBEEQ-UHFFFAOYSA-N
XLogP2.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1-phenyl-3,3-dipropylurea
CID 20524964
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid
CID 61412234
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269819
2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid
CID 61012479
2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 63644464
2-[(2-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61195729
2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 62002689
2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 63644818
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375
2-[carboxymethyl-[(3-cyanophenyl)-methylcarbamoyl]amino]acetic acid
CID 63645997
2-[cyclopentyl-[methyl(phenyl)carbamoyl]amino]acetic acid
CID 61186503

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid (CID 55133981) is 2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N(C)c1ccccc1.
What is the InChIKey of 2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid?
The InChIKey is MNHTZLGXOOBEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-9-15(10-12(16)17)13(18)14(2)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid?
2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid is sourced from PubChem (CID 55133981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).