2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid

C13H21NO2 — CID 146300472

IUPAC2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid
SMILESNC[C@@]1(CC(=O)O)[C@@H]2CCCC3CC[C@H]1[C@@H]32
InChIInChI=1S/C13H21NO2/c14-7-13(6-11(15)16)9-3-1-2-8-4-5-10(13)12(8)9/h8-10,12H,1-7,14H2,(H,15,16)/t8?,9-,10+,12+,13+/m1/s1
InChIKeyATHMJFZAFQRTNJ-IQNLMFKRSA-N
MW223.32 g/mol
LogP1.86
Rot. Bonds3

About 2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid

2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid (PubChem CID 146300472) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid
PubChem CID146300472
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid
SMILESNC[C@@]1(CC(=O)O)[C@@H]2CCCC3CC[C@H]1[C@@H]32
InChIInChI=1S/C13H21NO2/c14-7-13(6-11(15)16)9-3-1-2-8-4-5-10(13)12(8)9/h8-10,12H,1-7,14H2,(H,15,16)/t8?,9-,10+,12+,13+/m1/s1
InChIKeyATHMJFZAFQRTNJ-IQNLMFKRSA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic 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

Atagabalin
CID 9794485
2-((2R,3aR)-2-(aminomethyl)octahydro-1H-inden-2-yl)acetic acid
CID 9815720
(+/-)-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
(+)-2-((1S,5S,6R)-6-(aminomethyl)bicyclo[3.2.0]heptan-6-yl)acetic acid
CID 10330007
2-((3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl)acetic acid
CID 20598226
(3R,4R)-1-(Aminomethyl)-3,4-dimethylcyclopentaneacetic acid
CID 46886674
Crisugabalin
CID 139300919
2-[(7S)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid
CID 46225325
2-[(3S,4S)-1-(aminomethyl)-3-methyl-4-propylcyclopentyl]acetic acid
CID 46886676
(+/-)-2-((6R)-6-(aminomethyl)bicyclo[3.2.0]heptan-6-yl)acetic acid
CID 9920558

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid?
The IUPAC name of 2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid (CID 146300472) is 2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid?
The canonical SMILES for 2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid is NC[C@@]1(CC(=O)O)[C@@H]2CCCC3CC[C@H]1[C@@H]32.
What is the InChIKey of 2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid?
The InChIKey is ATHMJFZAFQRTNJ-IQNLMFKRSA-N. The full InChI is InChI=1S/C13H21NO2/c14-7-13(6-11(15)16)9-3-1-2-8-4-5-10(13)12(8)9/h8-10,12H,1-7,14H2,(H,15,16)/t8?,9-,10+,12+,13+/m1/s1.
What are the key properties of 2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid?
2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid has a molecular weight of 223.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid is sourced from PubChem (CID 146300472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).