3-methoxypropyl 3-amino-2-methoxypropanoate

C8H17NO4 — CID 106109463

IUPAC3-methoxypropyl 3-amino-2-methoxypropanoate
SMILESCOCCCOC(=O)C(CN)OC
InChIInChI=1S/C8H17NO4/c1-11-4-3-5-13-8(10)7(6-9)12-2/h7H,3-6,9H2,1-2H3
InChIKeyZEJBXPIXXIPOOQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.46
Rot. Bonds7

About 3-methoxypropyl 3-amino-2-methoxypropanoate

3-methoxypropyl 3-amino-2-methoxypropanoate (PubChem CID 106109463) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-methoxypropyl 3-amino-2-methoxypropanoate.

Molecular Properties

Compound Name3-methoxypropyl 3-amino-2-methoxypropanoate
PubChem CID106109463
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name3-methoxypropyl 3-amino-2-methoxypropanoate
SMILESCOCCCOC(=O)C(CN)OC
InChIInChI=1S/C8H17NO4/c1-11-4-3-5-13-8(10)7(6-9)12-2/h7H,3-6,9H2,1-2H3
InChIKeyZEJBXPIXXIPOOQ-UHFFFAOYSA-N
XLogP-0.46
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate
CID 106109479
1-O-[3-[(2R,3R)-4-[3-[(2R,3R)-2,3-dihydroxy-4-(3-methoxypropoxy)-4-oxobutanoyl]oxypropoxy]-2,3-dihydroxy-4-oxobutanoyl]oxypropyl] 4-O-(3-methoxypropyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 101011423
3-phenylpropyl 3-amino-2-methoxypropanoate
CID 114144556
3-methoxypropyl 2-sulfanylpropanoate
CID 107018238
bis(4-methoxybutyl) 2,3-dimethylbutanedioate
CID 101278780
ethyl 2-(3-methoxypropoxy)butanoate
CID 64661459
2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 114145147
3-amino-N-cyclopropyl-2-methoxy-N-(2-methoxyethyl)propanamide
CID 106112093
6-methoxyhexyl 2-methylpropanoate
CID 135199835
3-methoxypropyl 2-amino-3-hydroxybutanoate
CID 61277179
2-phenoxyethyl 3-amino-2-methoxypropanoate
CID 114144555
2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate
CID 103178431

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 3-amino-2-methoxypropanoate?
The IUPAC name of 3-methoxypropyl 3-amino-2-methoxypropanoate (CID 106109463) is 3-methoxypropyl 3-amino-2-methoxypropanoate.
What is the SMILES notation for 3-methoxypropyl 3-amino-2-methoxypropanoate?
The canonical SMILES for 3-methoxypropyl 3-amino-2-methoxypropanoate is COCCCOC(=O)C(CN)OC.
What is the InChIKey of 3-methoxypropyl 3-amino-2-methoxypropanoate?
The InChIKey is ZEJBXPIXXIPOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-11-4-3-5-13-8(10)7(6-9)12-2/h7H,3-6,9H2,1-2H3.
What are the key properties of 3-methoxypropyl 3-amino-2-methoxypropanoate?
3-methoxypropyl 3-amino-2-methoxypropanoate has a molecular weight of 191.23 g/mol, XLogP of -0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 3-amino-2-methoxypropanoate is sourced from PubChem (CID 106109463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).