(2S)-2-amino-4-ethoxy-4-oxobutanoic acid

C6H11NO4 — CID 10953820

IUPAC(2S)-2-amino-4-ethoxy-4-oxobutanoic acid
SMILESCCOC(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO4/c1-2-11-5(8)3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyKALSWOYBXAHEKF-BYPYZUCNSA-N
MW161.16 g/mol
LogP-0.65
Rot. Bonds4

About (2S)-2-amino-4-ethoxy-4-oxobutanoic acid

(2S)-2-amino-4-ethoxy-4-oxobutanoic acid (PubChem CID 10953820) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2S)-2-amino-4-ethoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-ethoxy-4-oxobutanoic acid
PubChem CID10953820
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2S)-2-amino-4-ethoxy-4-oxobutanoic acid
SMILESCCOC(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO4/c1-2-11-5(8)3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyKALSWOYBXAHEKF-BYPYZUCNSA-N
XLogP-0.65
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-ethoxy-4-oxobutanoic acid?
The IUPAC name of (2S)-2-amino-4-ethoxy-4-oxobutanoic acid (CID 10953820) is (2S)-2-amino-4-ethoxy-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-ethoxy-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-amino-4-ethoxy-4-oxobutanoic acid is CCOC(=O)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-ethoxy-4-oxobutanoic acid?
The InChIKey is KALSWOYBXAHEKF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO4/c1-2-11-5(8)3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-4-ethoxy-4-oxobutanoic acid?
(2S)-2-amino-4-ethoxy-4-oxobutanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-ethoxy-4-oxobutanoic acid is sourced from PubChem (CID 10953820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).