2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide

C10H18N2O3 — CID 106188642

IUPAC2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide
SMILESCOCC(CO)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C10H18N2O3/c1-7(8-3-11-4-8)10(14)12-9(5-13)6-15-2/h9,11,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyQAMPWCLUAREHBG-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.97
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide

2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide (PubChem CID 106188642) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide
PubChem CID106188642
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide
SMILESCOCC(CO)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C10H18N2O3/c1-7(8-3-11-4-8)10(14)12-9(5-13)6-15-2/h9,11,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyQAMPWCLUAREHBG-UHFFFAOYSA-N
XLogP-0.97
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-(3,3-dimethylbutan-2-yl)propanamide
CID 116678966
3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide
CID 106186140
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 106188319
N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide
CID 157037781
2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide
CID 116675499
2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155862
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155842
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)butanamide
CID 106188743
2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide
CID 106186138
2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide
CID 116677985
N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide
CID 114078956
butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate
CID 88937334

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide (CID 106188642) is 2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide is COCC(CO)NC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide?
The InChIKey is QAMPWCLUAREHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(8-3-11-4-8)10(14)12-9(5-13)6-15-2/h9,11,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide?
2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide has a molecular weight of 214.26 g/mol, XLogP of -0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide is sourced from PubChem (CID 106188642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).