3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid

C9H17NO2 — CID 125181118

IUPAC3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
SMILESC[C@H]1CNCC[C@H]1CCC(=O)O
InChIInChI=1S/C9H17NO2/c1-7-6-10-5-4-8(7)2-3-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyYMVSWRONJXOQPB-JGVFFNPUSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds3

About 3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid

3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid (PubChem CID 125181118) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
PubChem CID125181118
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
SMILESC[C@H]1CNCC[C@H]1CCC(=O)O
InChIInChI=1S/C9H17NO2/c1-7-6-10-5-4-8(7)2-3-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyYMVSWRONJXOQPB-JGVFFNPUSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic 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-(Piperidin-4-yl)propanoic acid
CID 1520806
2-(Mercaptomethyl)-3-(piperidin-4-yl)propanoic acid
CID 10198140
2-(Piperidin-3-yl)acetic acid hydrochloride
CID 12514713
4-Piperidine butyric acid hydrochloride
CID 16217040
4-(Piperidin-4-yl)butanoic acid
CID 5167702
(3S)-5-Methyl-3-((methylamino)methyl)hexanoic acid
CID 29984342
4-(2-Methylpiperidin-4-yl)butanoic acid--hydrogen chloride (1/1)
CID 3051311
3-(Piperidin-4-yl)propanoic acid hydrochloride
CID 21198547
2-(Piperidin-4-yl)propanoic acid hydrochloride
CID 47000778
Methyl 3-(piperidin-4-yl)propanoate hydrochloride
CID 49761244
2-Amino-3-(1-methylpiperidin-4-yl)propanoic acid
CID 59751677
Tert-butyl 3-(piperidin-4-yl)propanoate
CID 62217044

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid?
The IUPAC name of 3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid (CID 125181118) is 3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid is C[C@H]1CNCC[C@H]1CCC(=O)O.
What is the InChIKey of 3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid?
The InChIKey is YMVSWRONJXOQPB-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-6-10-5-4-8(7)2-3-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8+/m0/s1.
What are the key properties of 3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid?
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid is sourced from PubChem (CID 125181118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).