N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide

C15H22N2O2 — CID 107863123

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCN1
InChIInChI=1S/C15H22N2O2/c1-15(8-5-9-16-15)14(19)17-13(11-18)10-12-6-3-2-4-7-12/h2-4,6-7,13,16,18H,5,8-11H2,1H3,(H,17,19)/t13-,15?/m0/s1
InChIKeyACZXVHNYXXXFDD-CFMCSPIPSA-N
MW262.35 g/mol
LogP0.85
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 107863123) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
PubChem CID107863123
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCN1
InChIInChI=1S/C15H22N2O2/c1-15(8-5-9-16-15)14(19)17-13(11-18)10-12-6-3-2-4-7-12/h2-4,6-7,13,16,18H,5,8-11H2,1H3,(H,17,19)/t13-,15?/m0/s1
InChIKeyACZXVHNYXXXFDD-CFMCSPIPSA-N
XLogP0.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107863134
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449
1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide
CID 102677400
N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 110012103
2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide
CID 24746259
1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide
CID 63264607
benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate
CID 141351326
1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 107860983
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 129478894
2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81379976
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-2-carboxamide
CID 104596225

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide (CID 107863123) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide is CC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCN1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is ACZXVHNYXXXFDD-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(8-5-9-16-15)14(19)17-13(11-18)10-12-6-3-2-4-7-12/h2-4,6-7,13,16,18H,5,8-11H2,1H3,(H,17,19)/t13-,15?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 107863123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).