2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid

C13H18N2O3 — CID 65218183

IUPAC2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N(C)c1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-3-10(12(16)17)9-14-13(18)15(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyUDGYNMXTIVYHQS-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.94
Rot. Bonds5

About 2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid

2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid (PubChem CID 65218183) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid
PubChem CID65218183
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N(C)c1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-3-10(12(16)17)9-14-13(18)15(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyUDGYNMXTIVYHQS-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]butanoic acid
CID 65226726
2-[[[(4-fluorophenyl)-methylcarbamoyl]amino]methyl]butanoic acid
CID 65221688
2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid
CID 65221593
2-[[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]methyl]butanoic acid
CID 65218795
3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
CID 103158245
2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217823
2-[[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]butanoic acid
CID 65226301
2-[[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223458
2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65219387
2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65222515
2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217567
2-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65223341

Frequently Asked Questions

What is the IUPAC name of 2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid (CID 65218183) is 2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid is CCC(CNC(=O)N(C)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid?
The InChIKey is UDGYNMXTIVYHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-10(12(16)17)9-14-13(18)15(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid?
2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65218183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).