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

C13H18N2O3 — CID 43120719

IUPAC4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CC(O)CN1
InChIInChI=1S/C13H18N2O3/c1-18-12-5-3-2-4-9(12)7-15-13(17)11-6-10(16)8-14-11/h2-5,10-11,14,16H,6-8H2,1H3,(H,15,17)
InChIKeyLXHQWBQEXCEMOL-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.03
Rot. Bonds4

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

4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 43120719) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID43120719
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CC(O)CN1
InChIInChI=1S/C13H18N2O3/c1-18-12-5-3-2-4-9(12)7-15-13(17)11-6-10(16)8-14-11/h2-5,10-11,14,16H,6-8H2,1H3,(H,15,17)
InChIKeyLXHQWBQEXCEMOL-UHFFFAOYSA-N
XLogP0.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587806
(2R,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587807
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340
(2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685831
(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28944036
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119691568
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119800227
4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119691567
(2R,4S)-4-hydroxy-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 124688746
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 43120719) is 4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is COc1ccccc1CNC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is LXHQWBQEXCEMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-12-5-3-2-4-9(12)7-15-13(17)11-6-10(16)8-14-11/h2-5,10-11,14,16H,6-8H2,1H3,(H,15,17).
What are the key properties of 4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43120719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).