2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid

C12H14ClNO2 — CID 82388192

IUPAC2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid
SMILESO=C(O)C(c1ccccc1Cl)C1CCNC1
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11(12(15)16)8-5-6-14-7-8/h1-4,8,11,14H,5-7H2,(H,15,16)
InChIKeyYYWKSKUIGMIDGI-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.12
Rot. Bonds3

About 2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid

2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid (PubChem CID 82388192) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid
PubChem CID82388192
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid
SMILESO=C(O)C(c1ccccc1Cl)C1CCNC1
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11(12(15)16)8-5-6-14-7-8/h1-4,8,11,14H,5-7H2,(H,15,16)
InChIKeyYYWKSKUIGMIDGI-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
CID 107315387
3-[(2-chlorophenyl)-isocyanatomethyl]pyrrolidine
CID 105498413
2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde
CID 105499900
2-(2-chlorophenyl)-2-[(4S)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl]acetic acid
CID 69321795
3-phenyl-2-[(3S)-pyrrolidin-3-yl]propanoic acid
CID 166708021
2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid
CID 91550438
1-phenyl-2-piperidin-4-yl-2-pyrrolidin-3-ylethanone
CID 174253802
4-(2-chlorophenyl)piperidine-3-carboxylic acid
CID 82388184
4-[(2-chlorophenyl)-fluoromethyl]azepane
CID 84728201
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119832286
2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 69302616

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid?
The IUPAC name of 2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid (CID 82388192) is 2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid is O=C(O)C(c1ccccc1Cl)C1CCNC1.
What is the InChIKey of 2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid?
The InChIKey is YYWKSKUIGMIDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11(12(15)16)8-5-6-14-7-8/h1-4,8,11,14H,5-7H2,(H,15,16).
What are the key properties of 2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid?
2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid has a molecular weight of 239.70 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid is sourced from PubChem (CID 82388192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).