6-(cyclohexanecarbonylamino)-2-methylheptanoic acid

C15H27NO3 — CID 65286195

IUPAC6-(cyclohexanecarbonylamino)-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)C1CCCCC1
InChIInChI=1S/C15H27NO3/c1-11(15(18)19)7-6-8-12(2)16-14(17)13-9-4-3-5-10-13/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWUCMWQRIWMSNNC-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.96
Rot. Bonds7

About 6-(cyclohexanecarbonylamino)-2-methylheptanoic acid

6-(cyclohexanecarbonylamino)-2-methylheptanoic acid (PubChem CID 65286195) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 6-(cyclohexanecarbonylamino)-2-methylheptanoic acid.

Molecular Properties

Compound Name6-(cyclohexanecarbonylamino)-2-methylheptanoic acid
PubChem CID65286195
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name6-(cyclohexanecarbonylamino)-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)C1CCCCC1
InChIInChI=1S/C15H27NO3/c1-11(15(18)19)7-6-8-12(2)16-14(17)13-9-4-3-5-10-13/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWUCMWQRIWMSNNC-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid
CID 65286189
N-hexan-2-ylcyclohexanecarboxamide
CID 174494551
6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid
CID 65285536
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-(5-aminohexan-2-yl)cyclohexanecarboxamide
CID 134308456
(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
CID 107831603
6-(cyclopentylmethylamino)-2-methylheptanoic acid
CID 65289181
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexanecarbonylamino)-2-methylheptanoic acid?
The IUPAC name of 6-(cyclohexanecarbonylamino)-2-methylheptanoic acid (CID 65286195) is 6-(cyclohexanecarbonylamino)-2-methylheptanoic acid.
What is the SMILES notation for 6-(cyclohexanecarbonylamino)-2-methylheptanoic acid?
The canonical SMILES for 6-(cyclohexanecarbonylamino)-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)C1CCCCC1.
What is the InChIKey of 6-(cyclohexanecarbonylamino)-2-methylheptanoic acid?
The InChIKey is WUCMWQRIWMSNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(15(18)19)7-6-8-12(2)16-14(17)13-9-4-3-5-10-13/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-(cyclohexanecarbonylamino)-2-methylheptanoic acid?
6-(cyclohexanecarbonylamino)-2-methylheptanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexanecarbonylamino)-2-methylheptanoic acid is sourced from PubChem (CID 65286195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).