(2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal

C10H17NO3 — CID 15867591

IUPAC(2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal
SMILESCO[C@H](C)[C@H]1C(=O)N(C)[C@@H]1[C@@H](C)C=O
InChIInChI=1S/C10H17NO3/c1-6(5-12)9-8(7(2)14-4)10(13)11(9)3/h5-9H,1-4H3/t6-,7+,8+,9+/m0/s1
InChIKeyHYLISZJPGWTWGU-JQCXWYLXSA-N
MW199.25 g/mol
LogP0.31
Rot. Bonds4

About (2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal

(2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal (PubChem CID 15867591) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal
PubChem CID15867591
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal
SMILESCO[C@H](C)[C@H]1C(=O)N(C)[C@@H]1[C@@H](C)C=O
InChIInChI=1S/C10H17NO3/c1-6(5-12)9-8(7(2)14-4)10(13)11(9)3/h5-9H,1-4H3/t6-,7+,8+,9+/m0/s1
InChIKeyHYLISZJPGWTWGU-JQCXWYLXSA-N
XLogP0.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
CID 11069396
(2R)-2-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
CID 10938209
3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal
CID 59928441
(2S)-2-cyclopropylpropanal
CID 59475987
methyl (4S)-6-(1-methoxyethyl)-3,4-dimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CID 59942619
2-(4-methoxycyclohexyl)propanal
CID 173023643
(3S)-3-(1-methoxyethyl)-4-oxoazetidine-2-sulfinic acid
CID 90713777
3-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carbaldehyde
CID 88986054
(7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one
CID 153355600
2-cyclopentyl-3-(2-methoxypropyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 102702037
1,1-dimethoxyethane;formic acid
CID 174931321
1,3,5-tris(3-methoxybutyl)-1,3,5-triazinane-2,4,6-trione
CID 174996979

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal?
The IUPAC name of (2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal (CID 15867591) is (2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal.
What is the SMILES notation for (2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal?
The canonical SMILES for (2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal is CO[C@H](C)[C@H]1C(=O)N(C)[C@@H]1[C@@H](C)C=O.
What is the InChIKey of (2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal?
The InChIKey is HYLISZJPGWTWGU-JQCXWYLXSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6(5-12)9-8(7(2)14-4)10(13)11(9)3/h5-9H,1-4H3/t6-,7+,8+,9+/m0/s1.
What are the key properties of (2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal?
(2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal has a molecular weight of 199.25 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal is sourced from PubChem (CID 15867591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).