2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide

C10H20N2O4 — CID 107852972

IUPAC2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
SMILESCC(C(=O)NC(CO)(CO)CO)C1CNC1
InChIInChI=1S/C10H20N2O4/c1-7(8-2-11-3-8)9(16)12-10(4-13,5-14)6-15/h7-8,11,13-15H,2-6H2,1H3,(H,12,16)
InChIKeyOWZWAADBTSLNEF-UHFFFAOYSA-N
MW232.28 g/mol
LogP-2.33
Rot. Bonds6

About 2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide

2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide (PubChem CID 107852972) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
PubChem CID107852972
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
SMILESCC(C(=O)NC(CO)(CO)CO)C1CNC1
InChIInChI=1S/C10H20N2O4/c1-7(8-2-11-3-8)9(16)12-10(4-13,5-14)6-15/h7-8,11,13-15H,2-6H2,1H3,(H,12,16)
InChIKeyOWZWAADBTSLNEF-UHFFFAOYSA-N
XLogP-2.33
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-2.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 116678630
2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 116678297
2-(azetidin-3-yl)-N-cyclopentylpropanamide
CID 116674243
2-[2-(azetidin-3-yl)propanoylamino]propanoic acid
CID 116676916
2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide
CID 116678902
2-(azetidin-3-yl)-N-(cyclopropylmethyl)propanamide
CID 116674271
3-[2-(azetidin-3-yl)propanoylamino]-5,5-dimethylhexanoic acid
CID 116679069
2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide
CID 116675144
2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide
CID 116676839
3-[2-(azetidin-3-yl)propanoylamino]butanoic acid
CID 116676971
2-(azetidin-3-yl)-N-(4-methylcyclohexyl)propanamide
CID 104963390
2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 106428265

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide (CID 107852972) is 2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide is CC(C(=O)NC(CO)(CO)CO)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The InChIKey is OWZWAADBTSLNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(8-2-11-3-8)9(16)12-10(4-13,5-14)6-15/h7-8,11,13-15H,2-6H2,1H3,(H,12,16).
What are the key properties of 2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide has a molecular weight of 232.28 g/mol, XLogP of -2.33, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide is sourced from PubChem (CID 107852972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).