7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid

C16H30N2O3 — CID 61201091

IUPAC7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
SMILESCN(C(=O)NCCCCCCC(=O)O)C1CCCCCC1
InChIInChI=1S/C16H30N2O3/c1-18(14-10-6-2-3-7-11-14)16(21)17-13-9-5-4-8-12-15(19)20/h14H,2-13H2,1H3,(H,17,21)(H,19,20)
InChIKeyPPCDYXMFQSBHJU-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.39
Rot. Bonds8

About 7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid

7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid (PubChem CID 61201091) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
PubChem CID61201091
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
SMILESCN(C(=O)NCCCCCCC(=O)O)C1CCCCCC1
InChIInChI=1S/C16H30N2O3/c1-18(14-10-6-2-3-7-11-14)16(21)17-13-9-5-4-8-12-15(19)20/h14H,2-13H2,1H3,(H,17,21)(H,19,20)
InChIKeyPPCDYXMFQSBHJU-UHFFFAOYSA-N
XLogP3.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.39
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

7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid
CID 62547378
7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid
CID 102633440
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]carbamoylamino]butanoic acid
CID 122005059
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
CID 70625667
7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid
CID 102865277
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
1-cyclooctyl-3-(5-hydroxy-4,4-dimethylpentyl)-1-methylurea
CID 111755072
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054

Frequently Asked Questions

What is the IUPAC name of 7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid?
The IUPAC name of 7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid (CID 61201091) is 7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid?
The canonical SMILES for 7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid is CN(C(=O)NCCCCCCC(=O)O)C1CCCCCC1.
What is the InChIKey of 7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid?
The InChIKey is PPCDYXMFQSBHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-18(14-10-6-2-3-7-11-14)16(21)17-13-9-5-4-8-12-15(19)20/h14H,2-13H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid?
7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid is sourced from PubChem (CID 61201091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).