methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride

C12H16ClNO3 — CID 119056927

IUPACmethyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CNC[C@H]1c1ccc(O)cc1.Cl
InChIInChI=1S/C12H15NO3.ClH/c1-16-12(15)11-7-13-6-10(11)8-2-4-9(14)5-3-8;/h2-5,10-11,13-14H,6-7H2,1H3;1H/t10-,11+;/m0./s1
InChIKeyNLDWJXSGMJNNNC-VZXYPILPSA-N
MW257.72 g/mol
LogP1.29
Rot. Bonds2

About methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride

methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride (PubChem CID 119056927) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride
PubChem CID119056927
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Namemethyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CNC[C@H]1c1ccc(O)cc1.Cl
InChIInChI=1S/C12H15NO3.ClH/c1-16-12(15)11-7-13-6-10(11)8-2-4-9(14)5-3-8;/h2-5,10-11,13-14H,6-7H2,1H3;1H/t10-,11+;/m0./s1
InChIKeyNLDWJXSGMJNNNC-VZXYPILPSA-N
XLogP1.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride 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

ethyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129462996
methyl (3R,4R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylate
CID 129369498
methyl (3S,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129463071
(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972006
methyl (3R,4S)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride
CID 67232915
(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762183
methyl (3R,4S)-4-(3-methylphenyl)pyrrolidine-3-carboxylate
CID 53484902
methyl (3R,4R)-4-(1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylate
CID 129463108
methyl (3S,4R)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate;hydrochloride
CID 86685838
benzyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 135307059
methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate
CID 129413863
(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride (CID 119056927) is methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride is COC(=O)[C@@H]1CNC[C@H]1c1ccc(O)cc1.Cl.
What is the InChIKey of methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride?
The InChIKey is NLDWJXSGMJNNNC-VZXYPILPSA-N. The full InChI is InChI=1S/C12H15NO3.ClH/c1-16-12(15)11-7-13-6-10(11)8-2-4-9(14)5-3-8;/h2-5,10-11,13-14H,6-7H2,1H3;1H/t10-,11+;/m0./s1.
What are the key properties of methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride?
methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 119056927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).