3-methyl-2-pyrrolidin-1-ylpentanoic acid

C10H19NO2 — CID 23008915

IUPAC3-methyl-2-pyrrolidin-1-ylpentanoic acid
SMILESCCC(C)C(C(=O)O)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-3-8(2)9(10(12)13)11-6-4-5-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyLAXARVHOPZEWMZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds4

About 3-methyl-2-pyrrolidin-1-ylpentanoic acid

3-methyl-2-pyrrolidin-1-ylpentanoic acid (PubChem CID 23008915) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methyl-2-pyrrolidin-1-ylpentanoic acid.

Molecular Properties

Compound Name3-methyl-2-pyrrolidin-1-ylpentanoic acid
PubChem CID23008915
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-methyl-2-pyrrolidin-1-ylpentanoic acid
SMILESCCC(C)C(C(=O)O)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-3-8(2)9(10(12)13)11-6-4-5-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyLAXARVHOPZEWMZ-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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CID 65420109
3-methyl-2-morpholin-4-ylpentanoic acid
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2-(2,5-dihydropyrrol-1-yl)-3-methylpentanoic acid
CID 64681872
3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid
CID 79687657
(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
CID 42304661
(2S)-2-(azepan-1-yl)-3-methylbutanoic acid
CID 42309998
3-amino-2-piperidin-1-ylbutanoic acid
CID 67056291
2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid
CID 79687344
2-(azocan-1-yl)butanoic acid
CID 43808973
4-methyl-3-pyrrolidin-1-ylhexanoic acid
CID 64527753
ethyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319156
methyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319155

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyrrolidin-1-ylpentanoic acid?
The IUPAC name of 3-methyl-2-pyrrolidin-1-ylpentanoic acid (CID 23008915) is 3-methyl-2-pyrrolidin-1-ylpentanoic acid.
What is the SMILES notation for 3-methyl-2-pyrrolidin-1-ylpentanoic acid?
The canonical SMILES for 3-methyl-2-pyrrolidin-1-ylpentanoic acid is CCC(C)C(C(=O)O)N1CCCC1.
What is the InChIKey of 3-methyl-2-pyrrolidin-1-ylpentanoic acid?
The InChIKey is LAXARVHOPZEWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-8(2)9(10(12)13)11-6-4-5-7-11/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-2-pyrrolidin-1-ylpentanoic acid?
3-methyl-2-pyrrolidin-1-ylpentanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyrrolidin-1-ylpentanoic acid is sourced from PubChem (CID 23008915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).