3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid

C16H28N2O3 — CID 63142470

IUPAC3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid
SMILESCCCC1(C(=O)N2CCCCC2CCC(=O)O)CCNC1
InChIInChI=1S/C16H28N2O3/c1-2-8-16(9-10-17-12-16)15(21)18-11-4-3-5-13(18)6-7-14(19)20/h13,17H,2-12H2,1H3,(H,19,20)
InChIKeyDTQJVHVFZWFPBR-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.01
Rot. Bonds6

About 3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 63142470) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID63142470
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid
SMILESCCCC1(C(=O)N2CCCCC2CCC(=O)O)CCNC1
InChIInChI=1S/C16H28N2O3/c1-2-8-16(9-10-17-12-16)15(21)18-11-4-3-5-13(18)6-7-14(19)20/h13,17H,2-12H2,1H3,(H,19,20)
InChIKeyDTQJVHVFZWFPBR-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 63129046
1-(3-propylpyrrolidine-3-carbonyl)piperidine-2-carboxamide
CID 63140050
(3-ethylpiperidin-3-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052876
2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 55164770
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
(3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 63141995
1-(3-propylpiperidine-3-carbonyl)piperidine-2-carboxamide
CID 63131177
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444964
1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
CID 79308921
1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 63141064
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid (CID 63142470) is 3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid is CCCC1(C(=O)N2CCCCC2CCC(=O)O)CCNC1.
What is the InChIKey of 3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is DTQJVHVFZWFPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-8-16(9-10-17-12-16)15(21)18-11-4-3-5-13(18)6-7-14(19)20/h13,17H,2-12H2,1H3,(H,19,20).
What are the key properties of 3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 296.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 63142470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).