4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C16H24ClN3O3 — CID 119701214

IUPAC4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C2CC(O)CN2)cc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-10(2)15(21)19-12-5-3-11(4-6-12)8-18-16(22)14-7-13(20)9-17-14;/h3-6,10,13-14,17,20H,7-9H2,1-2H3,(H,18,22)(H,19,21);1H
InChIKeyUAQIWICKOMTXNM-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.04
Rot. Bonds5

About 4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119701214) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119701214
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C2CC(O)CN2)cc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-10(2)15(21)19-12-5-3-11(4-6-12)8-18-16(22)14-7-13(20)9-17-14;/h3-6,10,13-14,17,20H,7-9H2,1-2H3,(H,18,22)(H,19,21);1H
InChIKeyUAQIWICKOMTXNM-UHFFFAOYSA-N
XLogP1.04
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119716379
(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119701212
(2S,4R)-N-[(4-bromophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 121231100
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138978
methyl 4-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]benzoate
CID 61274532
(2R,4R)-N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587754
4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 119742872
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207
4-hydroxy-N-[[4-(3-methylsulfanyl-1H-pyrrol-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 175824703
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119701214) is 4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)C(=O)Nc1ccc(CNC(=O)C2CC(O)CN2)cc1.Cl.
What is the InChIKey of 4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is UAQIWICKOMTXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-10(2)15(21)19-12-5-3-11(4-6-12)8-18-16(22)14-7-13(20)9-17-14;/h3-6,10,13-14,17,20H,7-9H2,1-2H3,(H,18,22)(H,19,21);1H.
What are the key properties of 4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119701214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).