(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid

C10H19NO2 — CID 28819351

IUPAC(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CCN1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H19NO2/c1-8(2)5-7-11-6-3-4-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyYBGMBOVYIQBCBS-VIFPVBQESA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds4

About (2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid

(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid (PubChem CID 28819351) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
PubChem CID28819351
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CCN1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H19NO2/c1-8(2)5-7-11-6-3-4-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyYBGMBOVYIQBCBS-VIFPVBQESA-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

1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid
CID 169208784
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
(2S)-1-(2-sulfanylethyl)pyrrolidine-2-carboxylic acid
CID 45116092
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380
1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid
CID 59148061
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
(2S)-1-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-2-carboxylic acid
CID 122038699
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
1-(3-phenylbutyl)piperidine-2-carboxylic acid
CID 65054037

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid (CID 28819351) is (2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid is CC(C)CCN1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YBGMBOVYIQBCBS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)5-7-11-6-3-4-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic 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 (2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28819351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).