(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid

C13H14ClNO4 — CID 78921941

IUPAC(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO4/c14-9-3-1-4-10(7-9)19-8-12(16)15-6-2-5-11(15)13(17)18/h1,3-4,7,11H,2,5-6,8H2,(H,17,18)/t11-/m1/s1
InChIKeyDGWSPFSCVOUTAC-LLVKDONJSA-N
MW283.71 g/mol
LogP1.79
Rot. Bonds4

About (2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 78921941) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is (2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID78921941
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO4/c14-9-3-1-4-10(7-9)19-8-12(16)15-6-2-5-11(15)13(17)18/h1,3-4,7,11H,2,5-6,8H2,(H,17,18)/t11-/m1/s1
InChIKeyDGWSPFSCVOUTAC-LLVKDONJSA-N
XLogP1.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
(2R,3R)-1-[2-(3-chlorophenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114931
(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370741
(2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 91445322
1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092194
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(3-chlorophenoxy)ethanone
CID 80678728
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752
1-[2-(3-chlorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356795
2-(3-chlorophenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421400
1-[2-(2-bromo-4-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43092076
(2S)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 167816033
1-[2-(bromomethyl)azepan-1-yl]-2-(3-chlorophenoxy)ethanone
CID 116639330

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid (CID 78921941) is (2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)COc1cccc(Cl)c1.
What is the InChIKey of (2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DGWSPFSCVOUTAC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14ClNO4/c14-9-3-1-4-10(7-9)19-8-12(16)15-6-2-5-11(15)13(17)18/h1,3-4,7,11H,2,5-6,8H2,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78921941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).