(3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid

C13H25NO2 — CID 174022073

IUPAC(3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid
SMILESCCC[C@@](CN)(CC(=O)O)[C@@H]1CCC(C)C1
InChIInChI=1S/C13H25NO2/c1-3-6-13(9-14,8-12(15)16)11-5-4-10(2)7-11/h10-11H,3-9,14H2,1-2H3,(H,15,16)/t10?,11-,13+/m1/s1
InChIKeyIMDMJRCRJYSSPU-ZNVNOEFISA-N
MW227.35 g/mol
LogP2.64
Rot. Bonds6

About (3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid

(3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid (PubChem CID 174022073) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid.

Molecular Properties

Compound Name(3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid
PubChem CID174022073
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid
SMILESCCC[C@@](CN)(CC(=O)O)[C@@H]1CCC(C)C1
InChIInChI=1S/C13H25NO2/c1-3-6-13(9-14,8-12(15)16)11-5-4-10(2)7-11/h10-11H,3-9,14H2,1-2H3,(H,15,16)/t10?,11-,13+/m1/s1
InChIKeyIMDMJRCRJYSSPU-ZNVNOEFISA-N
XLogP2.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid?
The IUPAC name of (3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid (CID 174022073) is (3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid.
What is the SMILES notation for (3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid?
The canonical SMILES for (3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid is CCC[C@@](CN)(CC(=O)O)[C@@H]1CCC(C)C1.
What is the InChIKey of (3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid?
The InChIKey is IMDMJRCRJYSSPU-ZNVNOEFISA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-6-13(9-14,8-12(15)16)11-5-4-10(2)7-11/h10-11H,3-9,14H2,1-2H3,(H,15,16)/t10?,11-,13+/m1/s1.
What are the key properties of (3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid?
(3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(aminomethyl)-3-[(1R)-3-methylcyclopentyl]hexanoic acid is sourced from PubChem (CID 174022073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).