4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide

C14H20N2O2 — CID 81380061

IUPAC4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1[C@H](C)NC(=O)C1CC(O)CN1
InChIInChI=1S/C14H20N2O2/c1-9-5-3-4-6-12(9)10(2)16-14(18)13-7-11(17)8-15-13/h3-6,10-11,13,15,17H,7-8H2,1-2H3,(H,16,18)/t10-,11?,13?/m0/s1
InChIKeyJONNKXLEBZFJSH-ZBOXLXRLSA-N
MW248.33 g/mol
LogP0.90
Rot. Bonds3

About 4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 81380061) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID81380061
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1[C@H](C)NC(=O)C1CC(O)CN1
InChIInChI=1S/C14H20N2O2/c1-9-5-3-4-6-12(9)10(2)16-14(18)13-7-11(17)8-15-13/h3-6,10-11,13,15,17H,7-8H2,1-2H3,(H,16,18)/t10-,11?,13?/m0/s1
InChIKeyJONNKXLEBZFJSH-ZBOXLXRLSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81378542
4-methoxy-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 61260072
4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43703463
N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide
CID 82916802
(2R,4S)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 93266684
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43712314
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81363627
N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43699119
N-[1-(2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119686030
N-[1-(4-ethylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43702940
4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 61254438
4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119804985

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 81380061) is 4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide is Cc1ccccc1[C@H](C)NC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is JONNKXLEBZFJSH-ZBOXLXRLSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-3-4-6-12(9)10(2)16-14(18)13-7-11(17)8-15-13/h3-6,10-11,13,15,17H,7-8H2,1-2H3,(H,16,18)/t10-,11?,13?/m0/s1.
What are the key properties of 4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 81380061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).