(2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride

C14H20ClNO2 — CID 45026916

IUPAC(2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@]1(CCCc2ccccc2)CCCN1
InChIInChI=1S/C14H19NO2.ClH/c16-13(17)14(10-5-11-15-14)9-4-8-12-6-2-1-3-7-12;/h1-3,6-7,15H,4-5,8-11H2,(H,16,17);1H/t14-;/m1./s1
InChIKeySAPPBTCBOGWXJD-PFEQFJNWSA-N
MW269.77 g/mol
LogP2.64
Rot. Bonds5

About (2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride

(2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 45026916) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID45026916
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@]1(CCCc2ccccc2)CCCN1
InChIInChI=1S/C14H19NO2.ClH/c16-13(17)14(10-5-11-15-14)9-4-8-12-6-2-1-3-7-12;/h1-3,6-7,15H,4-5,8-11H2,(H,16,17);1H/t14-;/m1./s1
InChIKeySAPPBTCBOGWXJD-PFEQFJNWSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 71298917
(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761830
(2-benzylpyrrolidin-2-yl)-phenylmethanone
CID 594890
2-phenyl-2-(3-phenylpropyl)pyrrolidine
CID 167199912
2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398103
(2R)-N,N-dimethyl-2-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide
CID 95804757
2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide
CID 173103378
2-(phenylsulfanylmethyl)pyrrolidine-2-carboxylic acid
CID 141198596
2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 83080487
2-(4-boronobutyl)pyrrolidine-2-carboxylic acid
CID 66832567
2-pent-4-enylpyrrolidine-2-carboxylic acid
CID 115563174
2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398104

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 45026916) is (2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@]1(CCCc2ccccc2)CCCN1.
What is the InChIKey of (2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is SAPPBTCBOGWXJD-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c16-13(17)14(10-5-11-15-14)9-4-8-12-6-2-1-3-7-12;/h1-3,6-7,15H,4-5,8-11H2,(H,16,17);1H/t14-;/m1./s1.
What are the key properties of (2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride?
(2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 45026916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).