3-(2-methylpropyl)pyrrolidine-3-carboxylic acid

C9H17NO2 — CID 63140661

IUPAC3-(2-methylpropyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)CC1(C(=O)O)CCNC1
InChIInChI=1S/C9H17NO2/c1-7(2)5-9(8(11)12)3-4-10-6-9/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyUMHSWFQVKDRCJT-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds3

About 3-(2-methylpropyl)pyrrolidine-3-carboxylic acid

3-(2-methylpropyl)pyrrolidine-3-carboxylic acid (PubChem CID 63140661) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(2-methylpropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpropyl)pyrrolidine-3-carboxylic acid
PubChem CID63140661
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(2-methylpropyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)CC1(C(=O)O)CCNC1
InChIInChI=1S/C9H17NO2/c1-7(2)5-9(8(11)12)3-4-10-6-9/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyUMHSWFQVKDRCJT-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone
CID 176937427
(3R)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 124593028
1-benzothiophen-2-yl-[3-(2-methylpropyl)pyrrolidin-3-yl]methanone
CID 59744671
3-hexylpyrrolidine-3-carboxylic acid
CID 63140617
3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63141172
4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid
CID 159694800
3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid
CID 115018921
4-methyl-1-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 65394081
1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one
CID 116570206
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
3-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 79426364

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(2-methylpropyl)pyrrolidine-3-carboxylic acid (CID 63140661) is 3-(2-methylpropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(2-methylpropyl)pyrrolidine-3-carboxylic acid is CC(C)CC1(C(=O)O)CCNC1.
What is the InChIKey of 3-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UMHSWFQVKDRCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)5-9(8(11)12)3-4-10-6-9/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
3-(2-methylpropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63140661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).