3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid

C13H24N2O2 — CID 134339511

IUPAC3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid
SMILESC[C@@H]1CNCC[C@@H]1N1CCCC1CCC(=O)O
InChIInChI=1S/C13H24N2O2/c1-10-9-14-7-6-12(10)15-8-2-3-11(15)4-5-13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)/t10-,11?,12+/m1/s1
InChIKeyRFQLRAXCPSUIRO-LWALXPGCSA-N
MW240.35 g/mol
LogP1.31
Rot. Bonds4

About 3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid

3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid (PubChem CID 134339511) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid
PubChem CID134339511
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid
SMILESC[C@@H]1CNCC[C@@H]1N1CCCC1CCC(=O)O
InChIInChI=1S/C13H24N2O2/c1-10-9-14-7-6-12(10)15-8-2-3-11(15)4-5-13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)/t10-,11?,12+/m1/s1
InChIKeyRFQLRAXCPSUIRO-LWALXPGCSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine
CID 134335422
(2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid
CID 134324824
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 134339327
2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 134341384
1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320963
3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid
CID 64730669
methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate
CID 134324864
3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
3-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-2-yl]propanoic acid
CID 117028648
4-hydroxy-1-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 134341510
3-pyrrolidin-3-ylpropanoic acid
CID 12825648

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid (CID 134339511) is 3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid is C[C@@H]1CNCC[C@@H]1N1CCCC1CCC(=O)O.
What is the InChIKey of 3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid?
The InChIKey is RFQLRAXCPSUIRO-LWALXPGCSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-9-14-7-6-12(10)15-8-2-3-11(15)4-5-13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)/t10-,11?,12+/m1/s1.
What are the key properties of 3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid?
3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid has a molecular weight of 240.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 134339511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).