2-[methyl(pentadecylcarbamoyl)amino]acetic acid

C19H38N2O3 — CID 20527934

IUPAC2-[methyl(pentadecylcarbamoyl)amino]acetic acid
SMILESCCCCCCCCCCCCCCCNC(=O)N(C)CC(=O)O
InChIInChI=1S/C19H38N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19(24)21(2)17-18(22)23/h3-17H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyLHZUJCLLKWLPMZ-UHFFFAOYSA-N
MW342.52 g/mol
LogP4.80
Rot. Bonds16

About 2-[methyl(pentadecylcarbamoyl)amino]acetic acid

2-[methyl(pentadecylcarbamoyl)amino]acetic acid (PubChem CID 20527934) has the molecular formula C19H38N2O3 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-[methyl(pentadecylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(pentadecylcarbamoyl)amino]acetic acid
PubChem CID20527934
Molecular FormulaC19H38N2O3
Molecular Weight342.52 g/mol
Exact Mass342.29
IUPAC Name2-[methyl(pentadecylcarbamoyl)amino]acetic acid
SMILESCCCCCCCCCCCCCCCNC(=O)N(C)CC(=O)O
InChIInChI=1S/C19H38N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19(24)21(2)17-18(22)23/h3-17H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyLHZUJCLLKWLPMZ-UHFFFAOYSA-N
XLogP4.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[methyl(octylcarbamoyl)amino]propanoic acid
CID 115569264
2-[(4-amino-4-oxobutyl)carbamoyl-methylamino]acetic acid
CID 60862900
2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
CID 107437318
2-[2-[[2-(hexadecylamino)-2-oxoethyl]-methylamino]ethyl-methylamino]acetic acid
CID 171721073
2-[pentylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258372
2-[methyl-[3-(octadecanoylamino)propyl]amino]acetic acid
CID 154414053
3-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 115574208
1,1,3-tri(undecyl)urea
CID 168918847
tris(2-[bis(carboxymethyl)amino]acetic acid);N-tetradecyltetradecan-1-amine
CID 158230868
1,3-diheptyl-1-(hexylcarbamoyl)urea
CID 89190547

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentadecylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[methyl(pentadecylcarbamoyl)amino]acetic acid (CID 20527934) is 2-[methyl(pentadecylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(pentadecylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(pentadecylcarbamoyl)amino]acetic acid is CCCCCCCCCCCCCCCNC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl(pentadecylcarbamoyl)amino]acetic acid?
The InChIKey is LHZUJCLLKWLPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19(24)21(2)17-18(22)23/h3-17H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 2-[methyl(pentadecylcarbamoyl)amino]acetic acid?
2-[methyl(pentadecylcarbamoyl)amino]acetic acid has a molecular weight of 342.52 g/mol, XLogP of 4.80, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pentadecylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 20527934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).