(2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid

C12H14BrNO2 — CID 178194212

IUPAC(2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid
SMILESO=C(O)[C@@H](c1ccccc1Br)[C@H]1CCCN1
InChIInChI=1S/C12H14BrNO2/c13-9-5-2-1-4-8(9)11(12(15)16)10-6-3-7-14-10/h1-2,4-5,10-11,14H,3,6-7H2,(H,15,16)/t10-,11+/m1/s1
InChIKeyRFNSDCFPKFZHHR-MNOVXSKESA-N
MW284.15 g/mol
LogP2.37
Rot. Bonds3

About (2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid

(2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid (PubChem CID 178194212) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is (2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid
PubChem CID178194212
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name(2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid
SMILESO=C(O)[C@@H](c1ccccc1Br)[C@H]1CCCN1
InChIInChI=1S/C12H14BrNO2/c13-9-5-2-1-4-8(9)11(12(15)16)10-6-3-7-14-10/h1-2,4-5,10-11,14H,3,6-7H2,(H,15,16)/t10-,11+/m1/s1
InChIKeyRFNSDCFPKFZHHR-MNOVXSKESA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-2-piperidin-2-ylacetic acid
CID 155433521
2-(2-bromophenyl)-2-cycloheptylacetic acid
CID 82929403
2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid
CID 116516668
(2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid
CID 10657508
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetamide
CID 11085277
(2S)-2-(3-aminophenyl)-2-[(2S)-piperidin-2-yl]acetic acid
CID 10799703
(S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol
CID 165053495
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107068435
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid?
The IUPAC name of (2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid (CID 178194212) is (2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for (2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid?
The canonical SMILES for (2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid is O=C(O)[C@@H](c1ccccc1Br)[C@H]1CCCN1.
What is the InChIKey of (2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid?
The InChIKey is RFNSDCFPKFZHHR-MNOVXSKESA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-9-5-2-1-4-8(9)11(12(15)16)10-6-3-7-14-10/h1-2,4-5,10-11,14H,3,6-7H2,(H,15,16)/t10-,11+/m1/s1.
What are the key properties of (2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid?
(2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid has a molecular weight of 284.15 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 178194212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).