7-(cyclohexylcarbamoylamino)heptanoic acid

C14H26N2O3 — CID 6420121

IUPAC7-(cyclohexylcarbamoylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O3/c17-13(18)10-6-1-2-7-11-15-14(19)16-12-8-4-3-5-9-12/h12H,1-11H2,(H,17,18)(H2,15,16,19)
InChIKeyGYTIWWDVOFXKPF-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.65
Rot. Bonds8

About 7-(cyclohexylcarbamoylamino)heptanoic acid

7-(cyclohexylcarbamoylamino)heptanoic acid (PubChem CID 6420121) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 7-(cyclohexylcarbamoylamino)heptanoic acid.

Molecular Properties

Compound Name7-(cyclohexylcarbamoylamino)heptanoic acid
PubChem CID6420121
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name7-(cyclohexylcarbamoylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O3/c17-13(18)10-6-1-2-7-11-15-14(19)16-12-8-4-3-5-9-12/h12H,1-11H2,(H,17,18)(H2,15,16,19)
InChIKeyGYTIWWDVOFXKPF-UHFFFAOYSA-N
XLogP2.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylcarbamoylamino)heptanoic acid?
The IUPAC name of 7-(cyclohexylcarbamoylamino)heptanoic acid (CID 6420121) is 7-(cyclohexylcarbamoylamino)heptanoic acid.
What is the SMILES notation for 7-(cyclohexylcarbamoylamino)heptanoic acid?
The canonical SMILES for 7-(cyclohexylcarbamoylamino)heptanoic acid is O=C(O)CCCCCCNC(=O)NC1CCCCC1.
What is the InChIKey of 7-(cyclohexylcarbamoylamino)heptanoic acid?
The InChIKey is GYTIWWDVOFXKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c17-13(18)10-6-1-2-7-11-15-14(19)16-12-8-4-3-5-9-12/h12H,1-11H2,(H,17,18)(H2,15,16,19).
What are the key properties of 7-(cyclohexylcarbamoylamino)heptanoic acid?
7-(cyclohexylcarbamoylamino)heptanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylcarbamoylamino)heptanoic acid is sourced from PubChem (CID 6420121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).