6-(cyclopentylmethylamino)-2-methylheptanoic acid

C14H27NO2 — CID 65289181

IUPAC6-(cyclopentylmethylamino)-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NCC1CCCC1
InChIInChI=1S/C14H27NO2/c1-11(14(16)17)6-5-7-12(2)15-10-13-8-3-4-9-13/h11-13,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyHGZWOLUBTXEZBI-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.05
Rot. Bonds8

About 6-(cyclopentylmethylamino)-2-methylheptanoic acid

6-(cyclopentylmethylamino)-2-methylheptanoic acid (PubChem CID 65289181) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 6-(cyclopentylmethylamino)-2-methylheptanoic acid.

Molecular Properties

Compound Name6-(cyclopentylmethylamino)-2-methylheptanoic acid
PubChem CID65289181
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name6-(cyclopentylmethylamino)-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NCC1CCCC1
InChIInChI=1S/C14H27NO2/c1-11(14(16)17)6-5-7-12(2)15-10-13-8-3-4-9-13/h11-13,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyHGZWOLUBTXEZBI-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid
CID 65285536
4-(cyclopentylmethylamino)-2-methylbutanoic acid
CID 115220780
6-(cyclohexanecarbonylamino)-2-methylheptanoic acid
CID 65286195
3-(cyclopentylmethylamino)butanoic acid
CID 43536958
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
(3R)-3-(cyclopentylmethylamino)butan-1-ol
CID 103923917
4-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 115220789
2-methyl-6-(propan-2-ylamino)heptanoic acid
CID 65288979
6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65288885
2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid
CID 65285664
5-(cyclohexylmethylsulfonylamino)-2-methylpentanoic acid
CID 104682974
methyl 3-(cyclopentylmethylamino)butanoate
CID 43536965

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethylamino)-2-methylheptanoic acid?
The IUPAC name of 6-(cyclopentylmethylamino)-2-methylheptanoic acid (CID 65289181) is 6-(cyclopentylmethylamino)-2-methylheptanoic acid.
What is the SMILES notation for 6-(cyclopentylmethylamino)-2-methylheptanoic acid?
The canonical SMILES for 6-(cyclopentylmethylamino)-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NCC1CCCC1.
What is the InChIKey of 6-(cyclopentylmethylamino)-2-methylheptanoic acid?
The InChIKey is HGZWOLUBTXEZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(14(16)17)6-5-7-12(2)15-10-13-8-3-4-9-13/h11-13,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 6-(cyclopentylmethylamino)-2-methylheptanoic acid?
6-(cyclopentylmethylamino)-2-methylheptanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethylamino)-2-methylheptanoic acid is sourced from PubChem (CID 65289181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).