2-(3-methylpiperidin-1-yl)butanoic acid

C10H19NO2 — CID 43235109

IUPAC2-(3-methylpiperidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCCC(C)C1
InChIInChI=1S/C10H19NO2/c1-3-9(10(12)13)11-6-4-5-8(2)7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyXHAGMUPUXCPHIP-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds3

About 2-(3-methylpiperidin-1-yl)butanoic acid

2-(3-methylpiperidin-1-yl)butanoic acid (PubChem CID 43235109) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)butanoic acid
PubChem CID43235109
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(3-methylpiperidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCCC(C)C1
InChIInChI=1S/C10H19NO2/c1-3-9(10(12)13)11-6-4-5-8(2)7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyXHAGMUPUXCPHIP-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid
CID 129495909
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
CID 129414278
(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
CID 42307253
2-[3-(1,1-difluoroethyl)piperidin-1-yl]butanoic acid
CID 121202512
2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid
CID 64662613
2-(azocan-1-yl)butanoic acid
CID 43808973
(2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid
CID 42309455
3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid
CID 64693345
(2R)-2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]butanoic acid
CID 129401528
(2S)-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]butanoic acid
CID 129413724
(2S)-2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 129494733
2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170614

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)butanoic acid?
The IUPAC name of 2-(3-methylpiperidin-1-yl)butanoic acid (CID 43235109) is 2-(3-methylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)butanoic acid is CCC(C(=O)O)N1CCCC(C)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)butanoic acid?
The InChIKey is XHAGMUPUXCPHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-9(10(12)13)11-6-4-5-8(2)7-11/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-methylpiperidin-1-yl)butanoic acid?
2-(3-methylpiperidin-1-yl)butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 43235109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).