3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid

C9H19NO4 — CID 103266484

IUPAC3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid
SMILESCOCC(NCCOC(C)C)C(=O)O
InChIInChI=1S/C9H19NO4/c1-7(2)14-5-4-10-8(6-13-3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyHYYBZGSKQUCCLQ-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.10
Rot. Bonds8

About 3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid

3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid (PubChem CID 103266484) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid
PubChem CID103266484
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid
SMILESCOCC(NCCOC(C)C)C(=O)O
InChIInChI=1S/C9H19NO4/c1-7(2)14-5-4-10-8(6-13-3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyHYYBZGSKQUCCLQ-UHFFFAOYSA-N
XLogP0.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-2-(2-propan-2-yloxyethylamino)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

Related Compounds

(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid
CID 103268606
3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid
CID 103240234
2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid
CID 103262412
1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103253859
3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid
CID 103223987
3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid
CID 103247006
4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
CID 55144727
2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid
CID 103250208
4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol
CID 106159775
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid (CID 103266484) is 3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid is COCC(NCCOC(C)C)C(=O)O.
What is the InChIKey of 3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid?
The InChIKey is HYYBZGSKQUCCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-7(2)14-5-4-10-8(6-13-3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid?
3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid has a molecular weight of 205.25 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid is sourced from PubChem (CID 103266484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).