4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide

C12H16N2O3 — CID 114332340

IUPAC4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1O)C1CC(O)CN1
InChIInChI=1S/C12H16N2O3/c15-9-5-10(13-7-9)12(17)14-6-8-3-1-2-4-11(8)16/h1-4,9-10,13,15-16H,5-7H2,(H,14,17)
InChIKeyMERONCXRGSYJNI-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.27
Rot. Bonds3

About 4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 114332340) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID114332340
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1O)C1CC(O)CN1
InChIInChI=1S/C12H16N2O3/c15-9-5-10(13-7-9)12(17)14-6-8-3-1-2-4-11(8)16/h1-4,9-10,13,15-16H,5-7H2,(H,14,17)
InChIKeyMERONCXRGSYJNI-UHFFFAOYSA-N
XLogP-0.27
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28944036
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
(2S,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587806
(2R,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587807
N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119768236
4-hydroxy-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 43120836
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119800227
(2S,4R)-N-[2-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125153528
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125150269
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 114332340) is 4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is MERONCXRGSYJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-9-5-10(13-7-9)12(17)14-6-8-3-1-2-4-11(8)16/h1-4,9-10,13,15-16H,5-7H2,(H,14,17).
What are the key properties of 4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.27, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 114332340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).