4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide

C10H16N4O2 — CID 64519423

IUPAC4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CC(O)CN1
InChIInChI=1S/C10H16N4O2/c1-14(6-9-11-2-3-12-9)10(16)8-4-7(15)5-13-8/h2-3,7-8,13,15H,4-6H2,1H3,(H,11,12)
InChIKeyDSAQHGKTHFFGJA-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.91
Rot. Bonds3

About 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide

4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 64519423) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID64519423
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CC(O)CN1
InChIInChI=1S/C10H16N4O2/c1-14(6-9-11-2-3-12-9)10(16)8-4-7(15)5-13-8/h2-3,7-8,13,15H,4-6H2,1H3,(H,11,12)
InChIKeyDSAQHGKTHFFGJA-UHFFFAOYSA-N
XLogP-0.91
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-[(2,2-dimethylpropanoyl)amino]-N-(1H-imidazol-2-ylmethyl)-1-methylpyrrolidine-2-carboxamide
CID 56718025
(2S,5aS,8aR)-2-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-6-(1H-imidazol-2-ylmethyl)-1-methyl-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
CID 45361202
(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110197323
2-(3-Hydroxypiperidin-1-YL)-N-[3-(1H-imidazol-2-YL)propyl]acetamide
CID 91777804
1-Hydroxylethyl-1-methylimidazolium prolinate
CID 129832555
(2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 50974226
5-{[(1H-Imidazol-2-ylmethyl)(isopropyl)amino]methyl}pyrrolidin-2-one
CID 50974228
3-hydroxy-N-{1-[(1-methyl-1H-imidazol-2-yl)methyl]-2-oxopiperidin-3-yl}piperidine-1-carboxamide
CID 132358589
N-cyclopentyl-N-cyclopropyl-2-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]acetamide
CID 137887113
actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide
CID 20577869
N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide
CID 20577870
1-[2-(acetamidomethyl)butyl]-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 22606527

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide (CID 64519423) is 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is DSAQHGKTHFFGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14(6-9-11-2-3-12-9)10(16)8-4-7(15)5-13-8/h2-3,7-8,13,15H,4-6H2,1H3,(H,11,12).
What are the key properties of 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide?
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of -0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 64519423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).