2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide

C11H22N2O3 — CID 116678068

IUPAC2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide
SMILESCOC(OC)C(C)NC(=O)C(C)C1CNC1
InChIInChI=1S/C11H22N2O3/c1-7(9-5-12-6-9)10(14)13-8(2)11(15-3)16-4/h7-9,11-12H,5-6H2,1-4H3,(H,13,14)
InChIKeyIARAVCUYPLZXBD-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.03
Rot. Bonds6

About 2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide

2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide (PubChem CID 116678068) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide
PubChem CID116678068
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide
SMILESCOC(OC)C(C)NC(=O)C(C)C1CNC1
InChIInChI=1S/C11H22N2O3/c1-7(9-5-12-6-9)10(14)13-8(2)11(15-3)16-4/h7-9,11-12H,5-6H2,1-4H3,(H,13,14)
InChIKeyIARAVCUYPLZXBD-UHFFFAOYSA-N
XLogP-0.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.03
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

2-[2-(azetidin-3-yl)propanoylamino]propanoic acid
CID 116676916
3-[2-(azetidin-3-yl)propanoylamino]butanoic acid
CID 116676971
2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid
CID 116677711
2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide
CID 106344911
methyl 2-[2-(azetidin-3-yl)propanoylamino]-2-phenylacetate
CID 116677618
2-(azetidin-3-yl)-N-(cyclopropylmethyl)propanamide
CID 116674271
2-(azetidin-3-yl)-N-heptan-2-ylpropanamide
CID 116674944
N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043605
2-(azetidin-3-yl)-N-cyclopentylpropanamide
CID 116674243
2-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)propanamide
CID 116678033
2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 116677038
3-[2-(azetidin-3-yl)propanoylamino]-5,5-dimethylhexanoic acid
CID 116679069

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide (CID 116678068) is 2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide is COC(OC)C(C)NC(=O)C(C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide?
The InChIKey is IARAVCUYPLZXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(9-5-12-6-9)10(14)13-8(2)11(15-3)16-4/h7-9,11-12H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide?
2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide has a molecular weight of 230.31 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide is sourced from PubChem (CID 116678068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).