5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid

C10H19NO2 — CID 130705030

IUPAC5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(C)C1CCC(C(=O)O)N1
InChIInChI=1S/C10H19NO2/c1-6(2)7(3)8-4-5-9(11-8)10(12)13/h6-9,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyANOYSZZIROFQCU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.48
Rot. Bonds3

About 5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid

5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 130705030) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID130705030
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(C)C1CCC(C(=O)O)N1
InChIInChI=1S/C10H19NO2/c1-6(2)7(3)8-4-5-9(11-8)10(12)13/h6-9,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyANOYSZZIROFQCU-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 101341979
5-(1-methoxypropan-2-yl)pyrrolidine-2-carboxylic acid
CID 112575064
(2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid
CID 143979713
(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
CID 6995039
(2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid
CID 59911159
2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 129290042
(2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid
CID 177295796
5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid
CID 112574811
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid
CID 112757650
bis((2S,5S)-5-hydroxypyrrolidine-2-carboxylic acid);silver
CID 50897483
(2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid
CID 50919304

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid (CID 130705030) is 5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid is CC(C)C(C)C1CCC(C(=O)O)N1.
What is the InChIKey of 5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is ANOYSZZIROFQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6(2)7(3)8-4-5-9(11-8)10(12)13/h6-9,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid?
5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 130705030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).