4-amino-2-ethoxybutanoic acid

C6H13NO3 — CID 64694431

IUPAC4-amino-2-ethoxybutanoic acid
SMILESCCOC(CCN)C(=O)O
InChIInChI=1S/C6H13NO3/c1-2-10-5(3-4-7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyGLBOSVAIOKVVQV-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.18
Rot. Bonds5

About 4-amino-2-ethoxybutanoic acid

4-amino-2-ethoxybutanoic acid (PubChem CID 64694431) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 4-amino-2-ethoxybutanoic acid.

Molecular Properties

Compound Name4-amino-2-ethoxybutanoic acid
PubChem CID64694431
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name4-amino-2-ethoxybutanoic acid
SMILESCCOC(CCN)C(=O)O
InChIInChI=1S/C6H13NO3/c1-2-10-5(3-4-7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyGLBOSVAIOKVVQV-UHFFFAOYSA-N
XLogP-0.18
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethoxybutanoic acid?
The IUPAC name of 4-amino-2-ethoxybutanoic acid (CID 64694431) is 4-amino-2-ethoxybutanoic acid.
What is the SMILES notation for 4-amino-2-ethoxybutanoic acid?
The canonical SMILES for 4-amino-2-ethoxybutanoic acid is CCOC(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-ethoxybutanoic acid?
The InChIKey is GLBOSVAIOKVVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-10-5(3-4-7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9).
What are the key properties of 4-amino-2-ethoxybutanoic acid?
4-amino-2-ethoxybutanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethoxybutanoic acid is sourced from PubChem (CID 64694431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).