(2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid

C10H19NO2 — CID 67254509

IUPAC(2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CC[C@@H]1CCN[C@@H]1C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(2)3-4-8-5-6-11-9(8)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyGSWPAKZYHPVKOD-BDAKNGLRSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds4

About (2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid

(2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid (PubChem CID 67254509) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid
PubChem CID67254509
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CC[C@@H]1CCN[C@@H]1C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(2)3-4-8-5-6-11-9(8)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyGSWPAKZYHPVKOD-BDAKNGLRSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Streptokinase
CID 9815560
(4S)-4-cyclohexyl-L-proline
CID 9815559
(2S,3R)-3-(3-boronopropyl)pyrrolidine-2-carboxylic acid
CID 146970397
4-Methylproline
CID 352051
(2S,3R,5R)-3-(3-boronopropyl)-5-methylpyrrolidine-2-carboxylic acid
CID 155793084
(2S,3R)-3-(3-boronopropyl)-3-methylpyrrolidine-2-carboxylic acid
CID 155793126
3-(3-Boronopropyl)pyrrolidine-2-carboxylic acid
CID 155793328
(2S,3S)-3-(3-boronopropyl)pyrrolidine-2-carboxylic acid
CID 155793388
(2S,3S)-3-methylpyrrolidine-2-carboxylic Acid
CID 2724879
(2s,4s)-4-Methylpyrrolidine-2-carboxylic acid
CID 13419855
trans-4-Cyclohexyl-L-proline monohydrochloride
CID 12805591
Tetrahydrodomoic Acid
CID 449234

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid (CID 67254509) is (2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid is CC(C)CC[C@@H]1CCN[C@@H]1C(=O)O.
What is the InChIKey of (2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GSWPAKZYHPVKOD-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)3-4-8-5-6-11-9(8)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid?
(2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67254509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).