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

C18H20ClNO2 — CID 53398298

IUPAC4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC(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
InChIKeySHDWZGVXHRYAOT-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.38
Rot. Bonds4

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

4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 53398298) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID53398298
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC(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
InChIKeySHDWZGVXHRYAOT-UHFFFAOYSA-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

(2S)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 77174815
(2R,4S)-4-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 133114737
(2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 70546491
4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 117270170
4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398246
4-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398259
4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398207
(2S,4R)-4-[(2-iodophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2762040
(2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761966
(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 118704946
(2S)-4-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 70543840
(2S,4R)-4-[(3-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2762037

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 53398298) is 4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CC(Cc2ccc(-c3ccccc3)cc2)CN1.
What is the InChIKey of 4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is SHDWZGVXHRYAOT-UHFFFAOYSA-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.
What are the key properties of 4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
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 4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 53398298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).