(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C14H20N2O3 — CID 125138978

IUPAC(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOCc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2)cc1
InChIInChI=1S/C14H20N2O3/c1-19-9-11-4-2-10(3-5-11)7-16-14(18)13-6-12(17)8-15-13/h2-5,12-13,15,17H,6-9H2,1H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyWTXGVMGOXKNGIV-QWHCGFSZSA-N
MW264.32 g/mol
LogP0.17
Rot. Bonds5

About (2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide

(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 125138978) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID125138978
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOCc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2)cc1
InChIInChI=1S/C14H20N2O3/c1-19-9-11-4-2-10(3-5-11)7-16-14(18)13-6-12(17)8-15-13/h2-5,12-13,15,17H,6-9H2,1H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyWTXGVMGOXKNGIV-QWHCGFSZSA-N
XLogP0.17
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]benzoate
CID 61274532
(2S,4R)-N-[(4-bromophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 121231100
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
4-hydroxy-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119716379
(2R,4S)-4-hydroxy-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 124688746
(2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685831
(2S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150529
4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119691568
4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119691567
4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119701214
(2R,4R)-N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587754
4-hydroxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61240025

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 125138978) is (2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide is COCc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2)cc1.
What is the InChIKey of (2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is WTXGVMGOXKNGIV-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-9-11-4-2-10(3-5-11)7-16-14(18)13-6-12(17)8-15-13/h2-5,12-13,15,17H,6-9H2,1H3,(H,16,18)/t12-,13+/m0/s1.
What are the key properties of (2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 125138978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).