3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid

C9H17NO4 — CID 3137808

IUPAC3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid
SMILESCC1(O)CCOCC1NCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-9(13)3-5-14-6-7(9)10-4-2-8(11)12/h7,10,13H,2-6H2,1H3,(H,11,12)
InChIKeyUZBZICLVTOAFGB-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.41
Rot. Bonds4

About 3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid

3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid (PubChem CID 3137808) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid
PubChem CID3137808
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid
SMILESCC1(O)CCOCC1NCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-9(13)3-5-14-6-7(9)10-4-2-8(11)12/h7,10,13H,2-6H2,1H3,(H,11,12)
InChIKeyUZBZICLVTOAFGB-UHFFFAOYSA-N
XLogP-0.41
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid?
The IUPAC name of 3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid (CID 3137808) is 3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid is CC1(O)CCOCC1NCCC(=O)O.
What is the InChIKey of 3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid?
The InChIKey is UZBZICLVTOAFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(13)3-5-14-6-7(9)10-4-2-8(11)12/h7,10,13H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid?
3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-4-methyloxan-3-yl)amino]propanoic acid is sourced from PubChem (CID 3137808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).