(3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid

C9H17NO2 — CID 96740148

IUPAC(3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid
SMILESCC(C)[C@H]1CNCC[C@H]1C(=O)O
InChIInChI=1S/C9H17NO2/c1-6(2)8-5-10-4-3-7(8)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyGPPAEYGQBFBNPU-HTQZYQBOSA-N
MW171.24 g/mol
LogP0.95
Rot. Bonds2

About (3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid

(3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid (PubChem CID 96740148) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid
PubChem CID96740148
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid
SMILESCC(C)[C@H]1CNCC[C@H]1C(=O)O
InChIInChI=1S/C9H17NO2/c1-6(2)8-5-10-4-3-7(8)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyGPPAEYGQBFBNPU-HTQZYQBOSA-N
XLogP0.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-3-propan-2-ylpiperidine-4-carboxylic 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

3-propan-2-ylpiperidine-4-carboxylic acid
CID 82598426
(3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 7146007
4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 53398420
(3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride
CID 126970561
(3S)-4-methylpiperidine-3-carboxylic acid
CID 67216948
3-methyl-4-propan-2-ylpiperidine
CID 58394699
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928
(3R,4S)-4-iodo-3-propan-2-ylpiperidine
CID 139491710
4-hydroxypiperidine-3-carboxylic acid
CID 10261211
5-(2-methylpropyl)azepane-4-carboxylic acid
CID 84669033
3-cyclobutylpiperidine-4-carboxylic acid
CID 84769140
methyl (3R,4R)-4-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride
CID 72699098

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of (3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid (CID 96740148) is (3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for (3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid is CC(C)[C@H]1CNCC[C@H]1C(=O)O.
What is the InChIKey of (3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid?
The InChIKey is GPPAEYGQBFBNPU-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)8-5-10-4-3-7(8)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid?
(3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 96740148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).