(2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

C18H20ClNO2 — CID 2762060

IUPAC(2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)CN1
InChIInChI=1S/C18H19NO2.ClH/c20-18(21)17-11-14(12-19-17)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15;/h1-9,14,17,19H,10-12H2,(H,20,21);1H/t14-,17+;/m1./s1
InChIKeySHDWZGVXHRYAOT-CVLQQERVSA-N
MW317.82 g/mol
LogP3.38
Rot. Bonds4

About (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

(2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 2762060) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID2762060
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)CN1
InChIInChI=1S/C18H19NO2.ClH/c20-18(21)17-11-14(12-19-17)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15;/h1-9,14,17,19H,10-12H2,(H,20,21);1H/t14-,17+;/m1./s1
InChIKeySHDWZGVXHRYAOT-CVLQQERVSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Nateglinide
CID 5311309
2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid
CID 4443
Phenylacetyl-L-phenylalanine
CID 47579
ent-Nateglinide
CID 60026
(4S)-4-(Phenylmethyl)-L-proline
CID 10104399
(R)-4-(4'-(2-(2-Methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)butanoic Acid
CID 78321360
5-Oxo-3-phenylpyrrolidine-2-carboxylic acid
CID 5307343
(4S)-4-Phenyl-L-proline
CID 12805582
(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 155369489
(2S)-3-[[1,1'-Biphenyl]-4-yl]-2-[(2S)-4-methyl-2-sulfanylpentanamido]propanoic acid
CID 44455430
N-(cyclohexylcarbonyl)phenylalanine
CID 2957649
(2S,4S)-4-[(2,5-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 9991916

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 2762060) is (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)CN1.
What is the InChIKey of (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is SHDWZGVXHRYAOT-CVLQQERVSA-N. The full InChI is InChI=1S/C18H19NO2.ClH/c20-18(21)17-11-14(12-19-17)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15;/h1-9,14,17,19H,10-12H2,(H,20,21);1H/t14-,17+;/m1./s1.
What are the key properties of (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 2762060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).