1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide

C10H20N2O3 — CID 174921222

IUPAC1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide
SMILESCOCNC(=O)C1CN(CC(C)(C)O)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,14)6-12-4-8(5-12)9(13)11-7-15-3/h8,14H,4-7H2,1-3H3,(H,11,13)
InChIKeyVDCWLOAQYSHUHF-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.59
Rot. Bonds5

About 1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide

1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide (PubChem CID 174921222) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide
PubChem CID174921222
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide
SMILESCOCNC(=O)C1CN(CC(C)(C)O)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,14)6-12-4-8(5-12)9(13)11-7-15-3/h8,14H,4-7H2,1-3H3,(H,11,13)
InChIKeyVDCWLOAQYSHUHF-UHFFFAOYSA-N
XLogP-0.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 78946871
1-(cyclobutylmethyl)-N-(methoxymethyl)piperidine-3-carboxamide
CID 170901296
methyl 3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79621757
methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate
CID 100620951
2-methyl-1-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-2-ol
CID 123274995
2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol
CID 163850509
ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 81339381
ditert-butyl (2R)-2-(methoxymethylcarbamoyl)piperazine-1,4-dicarboxylate
CID 90099640
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 119035175
methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate
CID 103535263
methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate
CID 79823137
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide
CID 103229714

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide (CID 174921222) is 1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide is COCNC(=O)C1CN(CC(C)(C)O)C1.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide?
The InChIKey is VDCWLOAQYSHUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,14)6-12-4-8(5-12)9(13)11-7-15-3/h8,14H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide?
1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide is sourced from PubChem (CID 174921222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).