2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid

C12H23NO2 — CID 46886676

IUPAC2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid
SMILESCCC[C@H]1CC(CN)(CC(=O)O)C[C@@H]1C
InChIInChI=1S/C12H23NO2/c1-3-4-10-6-12(8-13,5-9(10)2)7-11(14)15/h9-10H,3-8,13H2,1-2H3,(H,14,15)/t9-,10-,12?/m0/s1
InChIKeyWJNOBCDMBDCMNJ-HVFQMFNGSA-N
MW213.32 g/mol
LogP2.25
Rot. Bonds5

About 2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid

2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid (PubChem CID 46886676) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid
PubChem CID46886676
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid
SMILESCCC[C@H]1CC(CN)(CC(=O)O)C[C@@H]1C
InChIInChI=1S/C12H23NO2/c1-3-4-10-6-12(8-13,5-9(10)2)7-11(14)15/h9-10H,3-8,13H2,1-2H3,(H,14,15)/t9-,10-,12?/m0/s1
InChIKeyWJNOBCDMBDCMNJ-HVFQMFNGSA-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

Atagabalin
CID 9794485
Gababutin
CID 9898895
2-(1-(Aminomethyl)-3-ethylcyclopentyl)acetic acid
CID 21879702
2-(1-(Aminomethyl)-3-butylcyclopentyl)acetic acid
CID 46227565
2-[1-(Aminomethyl)-3-methylcyclopentyl]acetic acid
CID 9793968
2-[(1S,3R)-1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
CID 9794482
2-((1S,3R)-1-(aminomethyl)-3-methylcyclopentyl)acetic acid
CID 9815345
2-((2R,3aR)-2-(aminomethyl)octahydro-1H-inden-2-yl)acetic acid
CID 9815720
2-((1R,3R)-1-(aminomethyl)-3-methylcyclopentyl)acetic acid
CID 9942502
(+/-)-2-((6S)-6-(aminomethyl)bicyclo[3.2.0]heptan-6-yl)acetic acid
CID 9964268
[(1R,5R,6S)-6-(Aminomethyl)bicyclo[3.2.0]hept-6-yl]acetic acid
CID 10219707
cis-2-((1R,5S)-3-(aminomethyl)bicyclo[3.2.0]heptan-3-yl)acetic acid
CID 10313401

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid?
The IUPAC name of 2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid (CID 46886676) is 2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid is CCC[C@H]1CC(CN)(CC(=O)O)C[C@@H]1C.
What is the InChIKey of 2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid?
The InChIKey is WJNOBCDMBDCMNJ-HVFQMFNGSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-10-6-12(8-13,5-9(10)2)7-11(14)15/h9-10H,3-8,13H2,1-2H3,(H,14,15)/t9-,10-,12?/m0/s1.
What are the key properties of 2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid?
2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic 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 2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid is sourced from PubChem (CID 46886676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).