3-amino-4-cyclopentyl-5-methylhexanoic acid

C12H23NO2 — CID 83909854

IUPAC3-amino-4-cyclopentyl-5-methylhexanoic acid
SMILESCC(C)C(C(N)CC(=O)O)C1CCCC1
InChIInChI=1S/C12H23NO2/c1-8(2)12(9-5-3-4-6-9)10(13)7-11(14)15/h8-10,12H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyAHXNWVUHLQNLQW-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.25
Rot. Bonds5

About 3-amino-4-cyclopentyl-5-methylhexanoic acid

3-amino-4-cyclopentyl-5-methylhexanoic acid (PubChem CID 83909854) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-amino-4-cyclopentyl-5-methylhexanoic acid.

Molecular Properties

Compound Name3-amino-4-cyclopentyl-5-methylhexanoic acid
PubChem CID83909854
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-amino-4-cyclopentyl-5-methylhexanoic acid
SMILESCC(C)C(C(N)CC(=O)O)C1CCCC1
InChIInChI=1S/C12H23NO2/c1-8(2)12(9-5-3-4-6-9)10(13)7-11(14)15/h8-10,12H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyAHXNWVUHLQNLQW-UHFFFAOYSA-N
XLogP2.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-cyclopentylpentanoic acid
CID 66096453
(3S,6S)-3-amino-6-cyclohexylheptanoic acid
CID 68869022
3-amino-4-cyclobutyl-4-(methylamino)butanoic acid
CID 116957961
(3S)-3-amino-4-cyclopentylbutanoic acid
CID 55254497
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
3-cyclobutylbutanoic acid
CID 82594402
(3S)-3-cyclobutylbutanoic acid
CID 96733267
lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride
CID 174434398
(3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid
CID 68869731
3-cyclopentyl-3-(propan-2-ylamino)propanoic acid
CID 83637719
3-amino-4,5,6-trimethylheptanoic acid
CID 11367460
3-cyclohexyl-3-fluoropropanoic acid
CID 105435814

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopentyl-5-methylhexanoic acid?
The IUPAC name of 3-amino-4-cyclopentyl-5-methylhexanoic acid (CID 83909854) is 3-amino-4-cyclopentyl-5-methylhexanoic acid.
What is the SMILES notation for 3-amino-4-cyclopentyl-5-methylhexanoic acid?
The canonical SMILES for 3-amino-4-cyclopentyl-5-methylhexanoic acid is CC(C)C(C(N)CC(=O)O)C1CCCC1.
What is the InChIKey of 3-amino-4-cyclopentyl-5-methylhexanoic acid?
The InChIKey is AHXNWVUHLQNLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)12(9-5-3-4-6-9)10(13)7-11(14)15/h8-10,12H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-4-cyclopentyl-5-methylhexanoic acid?
3-amino-4-cyclopentyl-5-methylhexanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopentyl-5-methylhexanoic acid is sourced from PubChem (CID 83909854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).