2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one

C10H19NO2 — CID 116552686

IUPAC2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one
SMILESCCC(C)C(N)C(=O)C1CCOC1
InChIInChI=1S/C10H19NO2/c1-3-7(2)9(11)10(12)8-4-5-13-6-8/h7-9H,3-6,11H2,1-2H3
InChIKeyDKMRFJMQYXRPBY-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.97
Rot. Bonds4

About 2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one

2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one (PubChem CID 116552686) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one
PubChem CID116552686
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one
SMILESCCC(C)C(N)C(=O)C1CCOC1
InChIInChI=1S/C10H19NO2/c1-3-7(2)9(11)10(12)8-4-5-13-6-8/h7-9H,3-6,11H2,1-2H3
InChIKeyDKMRFJMQYXRPBY-UHFFFAOYSA-N
XLogP0.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one 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-amino-3-methyl-1-(oxolan-3-yl)butan-1-one
CID 116548922
2-amino-1-cyclohexyl-3-methylpentan-1-one
CID 59078548
2-methyl-1-[(3S)-oxolan-3-yl]propan-1-one
CID 58423021
(2S)-2-bromo-1-[(3R)-oxolan-3-yl]propan-1-one
CID 124710732
3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one
CID 114972015
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
3-methyl-1-(oxolan-3-yl)pentan-1-one
CID 65330399
3-(ethylamino)-2-methyl-1-(oxolan-3-yl)propan-1-one
CID 116565198
oxetan-3-yl 2-amino-3-methylpentanoate
CID 102606938
(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
CID 103833265
2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide
CID 119812727
2-methoxy-1-(oxan-3-yl)butan-1-one
CID 107136005

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one?
The IUPAC name of 2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one (CID 116552686) is 2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one is CCC(C)C(N)C(=O)C1CCOC1.
What is the InChIKey of 2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one?
The InChIKey is DKMRFJMQYXRPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-7(2)9(11)10(12)8-4-5-13-6-8/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one?
2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one has a molecular weight of 185.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one is sourced from PubChem (CID 116552686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).