(3R)-3-cyclopropyloxy-2-(methylamino)butanal

C8H15NO2 — CID 167482371

IUPAC(3R)-3-cyclopropyloxy-2-(methylamino)butanal
SMILESCNC(C=O)[C@@H](C)OC1CC1
InChIInChI=1S/C8H15NO2/c1-6(8(5-10)9-2)11-7-3-4-7/h5-9H,3-4H2,1-2H3/t6-,8?/m1/s1
InChIKeyVGBGMLDSBHZZTM-XPJFZRNWSA-N
MW157.21 g/mol
LogP0.34
Rot. Bonds5

About (3R)-3-cyclopropyloxy-2-(methylamino)butanal

(3R)-3-cyclopropyloxy-2-(methylamino)butanal (PubChem CID 167482371) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3R)-3-cyclopropyloxy-2-(methylamino)butanal.

Molecular Properties

Compound Name(3R)-3-cyclopropyloxy-2-(methylamino)butanal
PubChem CID167482371
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3R)-3-cyclopropyloxy-2-(methylamino)butanal
SMILESCNC(C=O)[C@@H](C)OC1CC1
InChIInChI=1S/C8H15NO2/c1-6(8(5-10)9-2)11-7-3-4-7/h5-9H,3-4H2,1-2H3/t6-,8?/m1/s1
InChIKeyVGBGMLDSBHZZTM-XPJFZRNWSA-N
XLogP0.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-cyclopropyloxy-2-(methylamino)butanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyloxypentan-3-yloxycyclopropane
CID 175423112
tricyclopropyloxy(methyl)phosphanium
CID 57300068
1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane
CID 89381859
2-(4-methoxycyclohexyl)propanal
CID 173023643
(2S)-2-cyclopropyloxy-3-methylpentanoic acid
CID 170443442
1-propan-2-yl-4-propan-2-yloxycyclohexane
CID 18386923
2-[4-(1,3-dioxopent-4-en-2-yloxy)cyclohexyl]oxy-3-oxopent-4-enal
CID 57109771
4-(methylaminooxy)cyclohexane-1-carbaldehyde
CID 142922520
9-methyl-N-(4-propan-2-yloxycyclohexyl)decanamide
CID 166461461
N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide
CID 167481124
methylcyclopentane;2-methylpropanedial
CID 91490544
1-(4-propan-2-yloxycyclohexyl)ethylphosphane
CID 71124191

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyloxy-2-(methylamino)butanal?
The IUPAC name of (3R)-3-cyclopropyloxy-2-(methylamino)butanal (CID 167482371) is (3R)-3-cyclopropyloxy-2-(methylamino)butanal.
What is the SMILES notation for (3R)-3-cyclopropyloxy-2-(methylamino)butanal?
The canonical SMILES for (3R)-3-cyclopropyloxy-2-(methylamino)butanal is CNC(C=O)[C@@H](C)OC1CC1.
What is the InChIKey of (3R)-3-cyclopropyloxy-2-(methylamino)butanal?
The InChIKey is VGBGMLDSBHZZTM-XPJFZRNWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(8(5-10)9-2)11-7-3-4-7/h5-9H,3-4H2,1-2H3/t6-,8?/m1/s1.
What are the key properties of (3R)-3-cyclopropyloxy-2-(methylamino)butanal?
(3R)-3-cyclopropyloxy-2-(methylamino)butanal has a molecular weight of 157.21 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyloxy-2-(methylamino)butanal is sourced from PubChem (CID 167482371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).