6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid

C16H29NO3 — CID 65285536

IUPAC6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)CC1CCCCC1
InChIInChI=1S/C16H29NO3/c1-12(16(19)20)7-6-8-13(2)17-15(18)11-14-9-4-3-5-10-14/h12-14H,3-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyMYTFQJVMVDEJSF-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.35
Rot. Bonds8

About 6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid

6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid (PubChem CID 65285536) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid
PubChem CID65285536
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)CC1CCCCC1
InChIInChI=1S/C16H29NO3/c1-12(16(19)20)7-6-8-13(2)17-15(18)11-14-9-4-3-5-10-14/h12-14H,3-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyMYTFQJVMVDEJSF-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid
CID 65285664
6-(cyclohexanecarbonylamino)-2-methylheptanoic acid
CID 65286195
6-(cyclopentylmethylamino)-2-methylheptanoic acid
CID 65289181
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide
CID 114459087
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
2-cyclopentyl-N-[2-[(2-cyclopentylacetyl)amino]propyl]acetamide
CID 54786980
N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide
CID 62089580
(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
2-[(2-cyclohexylacetyl)amino]-4-methylsulfanylbutanoic acid
CID 43183375

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid?
The IUPAC name of 6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid (CID 65285536) is 6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)CC1CCCCC1.
What is the InChIKey of 6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid?
The InChIKey is MYTFQJVMVDEJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-12(16(19)20)7-6-8-13(2)17-15(18)11-14-9-4-3-5-10-14/h12-14H,3-11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid?
6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid is sourced from PubChem (CID 65285536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).