2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde

C7H13NO2 — CID 145378130

IUPAC2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde
SMILESC[C@@H]1CCOC1C(N)C=O
InChIInChI=1S/C7H13NO2/c1-5-2-3-10-7(5)6(8)4-9/h4-7H,2-3,8H2,1H3/t5-,6?,7?/m1/s1
InChIKeyGBIHLSGSVGJHOH-GRQBKTHUSA-N
MW143.19 g/mol
LogP-0.06
Rot. Bonds2

About 2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde

2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde (PubChem CID 145378130) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde
PubChem CID145378130
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde
SMILESC[C@@H]1CCOC1C(N)C=O
InChIInChI=1S/C7H13NO2/c1-5-2-3-10-7(5)6(8)4-9/h4-7H,2-3,8H2,1H3/t5-,6?,7?/m1/s1
InChIKeyGBIHLSGSVGJHOH-GRQBKTHUSA-N
XLogP-0.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115842269
[cyclopentyl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105282506
3-ethyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 105028497
(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 115481965
4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 115850240
[cyclohexyl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105282131
[2-methyl-1-(3-methyloxolan-2-yl)butyl]hydrazine
CID 105325836
[(3-methyloxolan-2-yl)-(oxolan-3-yl)methyl]hydrazine
CID 105306639
1-(3-methyloxolan-2-yl)pentylhydrazine
CID 105293857
3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine
CID 115845754
[2-ethoxy-1-(3-methyloxolan-2-yl)ethyl]hydrazine
CID 105321319
(4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine
CID 131145604

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde?
The IUPAC name of 2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde (CID 145378130) is 2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde.
What is the SMILES notation for 2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde?
The canonical SMILES for 2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde is C[C@@H]1CCOC1C(N)C=O.
What is the InChIKey of 2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde?
The InChIKey is GBIHLSGSVGJHOH-GRQBKTHUSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-2-3-10-7(5)6(8)4-9/h4-7H,2-3,8H2,1H3/t5-,6?,7?/m1/s1.
What are the key properties of 2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde?
2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde has a molecular weight of 143.19 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde is sourced from PubChem (CID 145378130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).