(3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid

C13H27NO2 — CID 53241384

IUPAC(3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid
SMILESCC(C)CCC[C@@H](C)CC(CN)CC(=O)O
InChIInChI=1S/C13H27NO2/c1-10(2)5-4-6-11(3)7-12(9-14)8-13(15)16/h10-12H,4-9,14H2,1-3H3,(H,15,16)/t11-,12?/m1/s1
InChIKeyADANSFWHWWMFDU-JHJMLUEUSA-N
MW229.36 g/mol
LogP2.89
Rot. Bonds9

About (3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid

(3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid (PubChem CID 53241384) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid.

Molecular Properties

Compound Name(3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid
PubChem CID53241384
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid
SMILESCC(C)CCC[C@@H](C)CC(CN)CC(=O)O
InChIInChI=1S/C13H27NO2/c1-10(2)5-4-6-11(3)7-12(9-14)8-13(15)16/h10-12H,4-9,14H2,1-3H3,(H,15,16)/t11-,12?/m1/s1
InChIKeyADANSFWHWWMFDU-JHJMLUEUSA-N
XLogP2.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5S)-3-(aminomethyl)-5-methylnonanoic acid
CID 57044526
(3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride
CID 87481836
(3S,5S)-3-(aminomethyl)-5-methyloctanoic acid
CID 57024808
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
potassium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 172995124
sodium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 173084628
(3S)-3-(aminomethyl)-6-(fluoromethoxy)-5-methylhexanoic acid
CID 57144056
(3S)-3-(aminomethyl)-5-methylhexanoic acid;phosphoric acid
CID 87556068
(3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid
CID 57074831
(Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid
CID 87482547
(3S,5R)-3-(aminomethyl)-5-methylheptanoic acid;ethyl acetate
CID 160547698
(3S)-3-(aminomethyl)-5-methyl-6-phenylhexanoic acid
CID 70083704

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid?
The IUPAC name of (3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid (CID 53241384) is (3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid.
What is the SMILES notation for (3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid?
The canonical SMILES for (3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid is CC(C)CCC[C@@H](C)CC(CN)CC(=O)O.
What is the InChIKey of (3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid?
The InChIKey is ADANSFWHWWMFDU-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)5-4-6-11(3)7-12(9-14)8-13(15)16/h10-12H,4-9,14H2,1-3H3,(H,15,16)/t11-,12?/m1/s1.
What are the key properties of (3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid?
(3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid has a molecular weight of 229.36 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid is sourced from PubChem (CID 53241384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).