(2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid

C12H19NO4 — CID 61136843

IUPAC(2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CCC1CCCO1
InChIInChI=1S/C12H19NO4/c14-11(6-5-9-3-2-8-17-9)13-7-1-4-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)/t9?,10-/m0/s1
InChIKeySVPODGCDQJEKIC-AXDSSHIGSA-N
MW241.29 g/mol
LogP1.02
Rot. Bonds4

About (2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61136843) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID61136843
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CCC1CCCO1
InChIInChI=1S/C12H19NO4/c14-11(6-5-9-3-2-8-17-9)13-7-1-4-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)/t9?,10-/m0/s1
InChIKeySVPODGCDQJEKIC-AXDSSHIGSA-N
XLogP1.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 124513489
1-[2-(oxolan-2-yl)acetyl]azepane-2-carboxylic acid
CID 65156903
(2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid
CID 129467409
(2S)-1-[3-[[(2S)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid
CID 129467574
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65159910
(2S)-1-[3-[(3S)-oxan-3-yl]propanoyl]pyrrolidine-2-carboxylic acid
CID 124702759
(2R)-1-[3-(oxan-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119370991
3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 62217111
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61439518
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65160742
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one;hydrochloride
CID 119649777
1-[2-(2-chloroethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65159753

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid (CID 61136843) is (2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)CCC1CCCO1.
What is the InChIKey of (2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SVPODGCDQJEKIC-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(6-5-9-3-2-8-17-9)13-7-1-4-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)/t9?,10-/m0/s1.
What are the key properties of (2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61136843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).