2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide

C10H20N2O3 — CID 116678297

IUPAC2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
SMILESCC(C(=O)NCC(C)(O)CO)C1CNC1
InChIInChI=1S/C10H20N2O3/c1-7(8-3-11-4-8)9(14)12-5-10(2,15)6-13/h7-8,11,13,15H,3-6H2,1-2H3,(H,12,14)
InChIKeyVOIBEPXHVGELMT-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.30
Rot. Bonds5

About 2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide

2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide (PubChem CID 116678297) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
PubChem CID116678297
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
SMILESCC(C(=O)NCC(C)(O)CO)C1CNC1
InChIInChI=1S/C10H20N2O3/c1-7(8-3-11-4-8)9(14)12-5-10(2,15)6-13/h7-8,11,13,15H,3-6H2,1-2H3,(H,12,14)
InChIKeyVOIBEPXHVGELMT-UHFFFAOYSA-N
XLogP-1.30
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 116678630
N-(2,3-dihydroxy-2-methylpropyl)-2-methylpropanamide
CID 66168288
2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107852972
N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81044622
2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide
CID 116678902
2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 106428265
2-(azetidin-3-yl)-N-(cyclopropylmethyl)propanamide
CID 116674271
3-[2-(azetidin-3-yl)propanoylamino]butanoic acid
CID 116676971
2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide
CID 116676839
(2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide
CID 103930127
2-[2-(azetidin-3-yl)propanoylamino]propanoic acid
CID 116676916
propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate
CID 66170109

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide (CID 116678297) is 2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide is CC(C(=O)NCC(C)(O)CO)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
The InChIKey is VOIBEPXHVGELMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(8-3-11-4-8)9(14)12-5-10(2,15)6-13/h7-8,11,13,15H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide has a molecular weight of 216.28 g/mol, XLogP of -1.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 116678297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).