5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid

C14H20N2O3 — CID 82846573

IUPAC5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(C)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-11(7-6-10-13(17)18)15-14(19)16(2)12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyUIQCYSHXBTWWOR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.48
Rot. Bonds6

About 5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid

5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid (PubChem CID 82846573) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
PubChem CID82846573
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(C)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-11(7-6-10-13(17)18)15-14(19)16(2)12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyUIQCYSHXBTWWOR-UHFFFAOYSA-N
XLogP2.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid
CID 82849236
2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid
CID 65285289
3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
CID 82507336
5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 82846735
2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 61187226
5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid
CID 82847956
5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82847767
4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61186680
4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide
CID 170187253
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
5-[(2-amino-2-phenylacetyl)amino]hexanoic acid
CID 82845613
5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
CID 82847398

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid (CID 82846573) is 5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)N(C)c1ccccc1.
What is the InChIKey of 5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid?
The InChIKey is UIQCYSHXBTWWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(7-6-10-13(17)18)15-14(19)16(2)12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid?
5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82846573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).