(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid

C10H19NO2 — CID 82406095

IUPAC(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC[C@@H]1[C@@H](C(=O)O)CCN1C(C)C
InChIInChI=1S/C10H19NO2/c1-4-9-8(10(12)13)5-6-11(9)7(2)3/h7-9H,4-6H2,1-3H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyUGPKLPWKRVSPHX-DTWKUNHWSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds3

About (2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid

(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 82406095) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID82406095
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC[C@@H]1[C@@H](C(=O)O)CCN1C(C)C
InChIInChI=1S/C10H19NO2/c1-4-9-8(10(12)13)5-6-11(9)7(2)3/h7-9H,4-6H2,1-3H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyUGPKLPWKRVSPHX-DTWKUNHWSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid
CID 83847942
2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid
CID 83848056
2-ethyl-1-propan-2-ylpiperidine-4-carboxylic acid
CID 54268210
2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383736
2-(2-ethyl-1-propan-2-ylpiperidin-3-yl)acetic acid
CID 83849048
(2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 96603802
(2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine
CID 146374292
2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 79370819
2-methyl-1-(3-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 114873795
1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid
CID 126689000
1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383655

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid (CID 82406095) is (2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid is CC[C@@H]1[C@@H](C(=O)O)CCN1C(C)C.
What is the InChIKey of (2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is UGPKLPWKRVSPHX-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9-8(10(12)13)5-6-11(9)7(2)3/h7-9H,4-6H2,1-3H3,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid?
(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82406095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).