(3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid

C12H19NO4 — CID 124512423

IUPAC(3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid
SMILESC[C@]1(C(=O)O)CCN(C(=O)C[C@H]2CCCO2)C1
InChIInChI=1S/C12H19NO4/c1-12(11(15)16)4-5-13(8-12)10(14)7-9-3-2-6-17-9/h9H,2-8H2,1H3,(H,15,16)/t9-,12+/m1/s1
InChIKeyCBVNOZSOTRPLIP-SKDRFNHKSA-N
MW241.29 g/mol
LogP0.88
Rot. Bonds3

About (3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid

(3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 124512423) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid
PubChem CID124512423
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid
SMILESC[C@]1(C(=O)O)CCN(C(=O)C[C@H]2CCCO2)C1
InChIInChI=1S/C12H19NO4/c1-12(11(15)16)4-5-13(8-12)10(14)7-9-3-2-6-17-9/h9H,2-8H2,1H3,(H,15,16)/t9-,12+/m1/s1
InChIKeyCBVNOZSOTRPLIP-SKDRFNHKSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[2-(oxolan-2-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 65157138
3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 119257371
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride
CID 120805402
7-[2-(oxolan-2-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996141
(3R)-3-methyl-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125134053
3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
CID 119257576
(3R)-3-methyl-1-[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148523
(3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148522
3-methyl-1-[2-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256061
8-[2-(oxolan-2-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47211168
3-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-3-carboxylic acid
CID 63247201
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120815605

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid (CID 124512423) is (3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid is C[C@]1(C(=O)O)CCN(C(=O)C[C@H]2CCCO2)C1.
What is the InChIKey of (3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CBVNOZSOTRPLIP-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(11(15)16)4-5-13(8-12)10(14)7-9-3-2-6-17-9/h9H,2-8H2,1H3,(H,15,16)/t9-,12+/m1/s1.
What are the key properties of (3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid?
(3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124512423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).