propyl 4-amino-3-hydroxy-3-methylbutanoate

C8H17NO3 — CID 66001793

IUPACpropyl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCCCOC(=O)CC(C)(O)CN
InChIInChI=1S/C8H17NO3/c1-3-4-12-7(10)5-8(2,11)6-9/h11H,3-6,9H2,1-2H3
InChIKeyYQCVUNLWLRWBED-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.04
Rot. Bonds5

About propyl 4-amino-3-hydroxy-3-methylbutanoate

propyl 4-amino-3-hydroxy-3-methylbutanoate (PubChem CID 66001793) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is propyl 4-amino-3-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Namepropyl 4-amino-3-hydroxy-3-methylbutanoate
PubChem CID66001793
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namepropyl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCCCOC(=O)CC(C)(O)CN
InChIInChI=1S/C8H17NO3/c1-3-4-12-7(10)5-8(2,11)6-9/h11H,3-6,9H2,1-2H3
InChIKeyYQCVUNLWLRWBED-UHFFFAOYSA-N
XLogP0.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propyl 4-amino-3-hydroxy-3-methylbutanoate 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-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66002390
4-methylpentyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66003374
propyl 3-methoxy-3-methylbutanoate
CID 103021036
2-hydroxy-4-oxo-2-(2-oxo-2-propoxyethyl)-4-propoxybutanoic acid
CID 57202719
dipropyl 2-ethyl-2-methylbutanedioate
CID 57222519
butyl 3-hydroxy-3-methylbutanoate
CID 54482919
butyl 3,3-dihydroxybutanoate
CID 166790981
propyl 3,3-dimethyl-5-propoxypentanoate
CID 153309922
(4-methylcyclohexyl) 4-amino-3-hydroxy-3-methylbutanoate
CID 66002585
oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate
CID 102606699
2-(2-decoxy-2-oxoethyl)-2-hydroxy-4-oxo-4-propoxybutanoic acid
CID 151183118
ethyl 3-hydroxy-5-methoxy-3-methylpentanoate
CID 62393447

Frequently Asked Questions

What is the IUPAC name of propyl 4-amino-3-hydroxy-3-methylbutanoate?
The IUPAC name of propyl 4-amino-3-hydroxy-3-methylbutanoate (CID 66001793) is propyl 4-amino-3-hydroxy-3-methylbutanoate.
What is the SMILES notation for propyl 4-amino-3-hydroxy-3-methylbutanoate?
The canonical SMILES for propyl 4-amino-3-hydroxy-3-methylbutanoate is CCCOC(=O)CC(C)(O)CN.
What is the InChIKey of propyl 4-amino-3-hydroxy-3-methylbutanoate?
The InChIKey is YQCVUNLWLRWBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-4-12-7(10)5-8(2,11)6-9/h11H,3-6,9H2,1-2H3.
What are the key properties of propyl 4-amino-3-hydroxy-3-methylbutanoate?
propyl 4-amino-3-hydroxy-3-methylbutanoate has a molecular weight of 175.23 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-amino-3-hydroxy-3-methylbutanoate is sourced from PubChem (CID 66001793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).