(3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid

C14H27NO2 — CID 68869731

IUPAC(3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid
SMILESC[C@@H](CC[C@H](N)CC(=O)O)CC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-11(7-8-13(15)10-14(16)17)9-12-5-3-2-4-6-12/h11-13H,2-10,15H2,1H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyZDQUKINEHXVJRF-AAEUAGOBSA-N
MW241.37 g/mol
LogP3.18
Rot. Bonds7

About (3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid

(3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid (PubChem CID 68869731) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid.

Molecular Properties

Compound Name(3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid
PubChem CID68869731
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid
SMILESC[C@@H](CC[C@H](N)CC(=O)O)CC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-11(7-8-13(15)10-14(16)17)9-12-5-3-2-4-6-12/h11-13H,2-10,15H2,1H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyZDQUKINEHXVJRF-AAEUAGOBSA-N
XLogP3.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,6R)-3-amino-8-cyclobutyl-6-methyloctanoic acid
CID 68869260
(3S,6S)-3-amino-6-cyclohexylheptanoic acid
CID 68869022
(3S)-3-amino-4-cyclopentylbutanoic acid
CID 55254497
(3S)-3-amino-4-cyclobutylbutanoic acid
CID 66644622
6-cyclohexyl-5-methylhexanoic acid
CID 70072548
(3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid
CID 68855233
(3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid
CID 56994800
6-cyclopentyl-5-methylhexanoic acid
CID 70074229
(3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride
CID 155904084
3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine
CID 23051014
(3S,5S)-3-amino-8-cyclobutyl-5-methyloctanoic acid
CID 68857473
6-cyclohexyl-3-methylhexanoic acid
CID 165358619

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid?
The IUPAC name of (3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid (CID 68869731) is (3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid.
What is the SMILES notation for (3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid?
The canonical SMILES for (3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid is C[C@@H](CC[C@H](N)CC(=O)O)CC1CCCCC1.
What is the InChIKey of (3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid?
The InChIKey is ZDQUKINEHXVJRF-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(7-8-13(15)10-14(16)17)9-12-5-3-2-4-6-12/h11-13H,2-10,15H2,1H3,(H,16,17)/t11-,13-/m0/s1.
What are the key properties of (3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid?
(3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid is sourced from PubChem (CID 68869731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).