3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid

C14H24N2O3 — CID 115867224

IUPAC3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
SMILESCC1CCNC(C(=O)N2CCC(CCC(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-10-4-6-15-12(8-10)14(19)16-7-5-11(9-16)2-3-13(17)18/h10-12,15H,2-9H2,1H3,(H,17,18)
InChIKeyDYNLEORNDXASAV-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds4

About 3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid

3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid (PubChem CID 115867224) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
PubChem CID115867224
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
SMILESCC1CCNC(C(=O)N2CCC(CCC(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-10-4-6-15-12(8-10)14(19)16-7-5-11(9-16)2-3-13(17)18/h10-12,15H,2-9H2,1H3,(H,17,18)
InChIKeyDYNLEORNDXASAV-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114429367
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone
CID 114424447
(3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114422546
3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid
CID 102779251
N-methyl-1-(4-methylpiperidine-2-carbonyl)piperidine-3-carboxamide
CID 103195214
N-[1-(4-methylpiperidine-2-carbonyl)piperidin-4-yl]butanamide
CID 114423431
1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 114423833
azetidin-2-yl-(3-methylpiperidin-1-yl)methanone
CID 127007558
(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114424311
(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 106740610
3-[1-(3-methyloxane-4-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114240984
3-[1-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114679445

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid (CID 115867224) is 3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid is CC1CCNC(C(=O)N2CCC(CCC(=O)O)C2)C1.
What is the InChIKey of 3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid?
The InChIKey is DYNLEORNDXASAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-4-6-15-12(8-10)14(19)16-7-5-11(9-16)2-3-13(17)18/h10-12,15H,2-9H2,1H3,(H,17,18).
What are the key properties of 3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid?
3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 115867224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).