3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide

C9H18N2O2 — CID 167134951

IUPAC3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC(O)C1
InChIInChI=1S/C9H18N2O2/c1-6(2)7(3)10-9(13)11-4-8(12)5-11/h6-8,12H,4-5H2,1-3H3,(H,10,13)/t7-/m1/s1
InChIKeyIXXRKQOJDBDJCP-SSDOTTSWSA-N
MW186.25 g/mol
LogP0.42
Rot. Bonds2

About 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide

3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide (PubChem CID 167134951) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
PubChem CID167134951
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC(O)C1
InChIInChI=1S/C9H18N2O2/c1-6(2)7(3)10-9(13)11-4-8(12)5-11/h6-8,12H,4-5H2,1-3H3,(H,10,13)/t7-/m1/s1
InChIKeyIXXRKQOJDBDJCP-SSDOTTSWSA-N
XLogP0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide
CID 167135352
1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol
CID 164963676
5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122121872
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 106670735
(3R,5S)-3-hydroxy-5-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 130900909
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
CID 122560977
3-hydroxy-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
CID 125439120
3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide
CID 130609050
(2R)-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 79180632
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875575
3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61185961

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide (CID 167134951) is 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide is CC(C)[C@@H](C)NC(=O)N1CC(O)C1.
What is the InChIKey of 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
The InChIKey is IXXRKQOJDBDJCP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)7(3)10-9(13)11-4-8(12)5-11/h6-8,12H,4-5H2,1-3H3,(H,10,13)/t7-/m1/s1.
What are the key properties of 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide is sourced from PubChem (CID 167134951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).