2-amino-1-(oxolan-2-yloxy)pentan-3-ol

C9H19NO3 — CID 153374047

IUPAC2-amino-1-(oxolan-2-yloxy)pentan-3-ol
SMILESCCC(O)C(N)COC1CCCO1
InChIInChI=1S/C9H19NO3/c1-2-8(11)7(10)6-13-9-4-3-5-12-9/h7-9,11H,2-6,10H2,1H3
InChIKeyKKJGJWMXBAOCHQ-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.24
Rot. Bonds5

About 2-amino-1-(oxolan-2-yloxy)pentan-3-ol

2-amino-1-(oxolan-2-yloxy)pentan-3-ol (PubChem CID 153374047) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-amino-1-(oxolan-2-yloxy)pentan-3-ol.

Molecular Properties

Compound Name2-amino-1-(oxolan-2-yloxy)pentan-3-ol
PubChem CID153374047
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-amino-1-(oxolan-2-yloxy)pentan-3-ol
SMILESCCC(O)C(N)COC1CCCO1
InChIInChI=1S/C9H19NO3/c1-2-8(11)7(10)6-13-9-4-3-5-12-9/h7-9,11H,2-6,10H2,1H3
InChIKeyKKJGJWMXBAOCHQ-UHFFFAOYSA-N
XLogP0.24
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(oxolan-2-yloxy)pentan-3-ol 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

1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
(1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol
CID 14199162
(2S)-2-(oxan-2-yloxy)pentan-3-ol
CID 89265028
2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane
CID 169311786
4-(methylamino)-5-(oxolan-2-yloxy)pentane-2,3-diol
CID 153374045
methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride
CID 91978788
2-(2-propylpentoxy)oxane
CID 175998246
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate
CID 158281779
2-methylpropyl oxolan-2-yl carbonate
CID 118596444

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(oxolan-2-yloxy)pentan-3-ol?
The IUPAC name of 2-amino-1-(oxolan-2-yloxy)pentan-3-ol (CID 153374047) is 2-amino-1-(oxolan-2-yloxy)pentan-3-ol.
What is the SMILES notation for 2-amino-1-(oxolan-2-yloxy)pentan-3-ol?
The canonical SMILES for 2-amino-1-(oxolan-2-yloxy)pentan-3-ol is CCC(O)C(N)COC1CCCO1.
What is the InChIKey of 2-amino-1-(oxolan-2-yloxy)pentan-3-ol?
The InChIKey is KKJGJWMXBAOCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-8(11)7(10)6-13-9-4-3-5-12-9/h7-9,11H,2-6,10H2,1H3.
What are the key properties of 2-amino-1-(oxolan-2-yloxy)pentan-3-ol?
2-amino-1-(oxolan-2-yloxy)pentan-3-ol has a molecular weight of 189.25 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(oxolan-2-yloxy)pentan-3-ol is sourced from PubChem (CID 153374047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).