(2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate

C13H17NO2 — CID 7145405

IUPAC(2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate
SMILESO=C([O-])[C@@]1(CCc2ccccc2)CCC[NH2+]1
InChIInChI=1S/C13H17NO2/c15-12(16)13(8-4-10-14-13)9-7-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2,(H,15,16)/t13-/m0/s1
InChIKeyINYAECKOEPKSDF-ZDUSSCGKSA-N
MW219.28 g/mol
LogP-0.53
Rot. Bonds4

About (2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate

(2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate (PubChem CID 7145405) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate.

Molecular Properties

Compound Name(2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate
PubChem CID7145405
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate
SMILESO=C([O-])[C@@]1(CCc2ccccc2)CCC[NH2+]1
InChIInChI=1S/C13H17NO2/c15-12(16)13(8-4-10-14-13)9-7-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2,(H,15,16)/t13-/m0/s1
InChIKeyINYAECKOEPKSDF-ZDUSSCGKSA-N
XLogP-0.53
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(3-chlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate
CID 7016547
(2S)-2-[(2-nitrophenyl)methyl]pyrrolidin-1-ium-2-carboxylate
CID 7145429
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
N-[1-(3-phenylpropyl)cyclohexyl]acetamide
CID 143104770
2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid
CID 125146477
1-(4-phenylbutyl)cyclobutane-1-carboxylic acid
CID 114334159
1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol
CID 69235710
3-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 79426364
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
1-(4-phenylbutyl)cyclopropane-1-carboxylic acid
CID 114334160
1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid
CID 10037618
lanthanum;3-phenylpropanoic acid
CID 174887955

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate?
The IUPAC name of (2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate (CID 7145405) is (2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate.
What is the SMILES notation for (2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate?
The canonical SMILES for (2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate is O=C([O-])[C@@]1(CCc2ccccc2)CCC[NH2+]1.
What is the InChIKey of (2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate?
The InChIKey is INYAECKOEPKSDF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12(16)13(8-4-10-14-13)9-7-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2,(H,15,16)/t13-/m0/s1.
What are the key properties of (2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate?
(2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate has a molecular weight of 219.28 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-phenylethyl)pyrrolidin-1-ium-2-carboxylate is sourced from PubChem (CID 7145405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).