(3S)-3-acetamido-4-amino-4-oxobutanoic acid

C6H10N2O4 — CID 7019845

IUPAC(3S)-3-acetamido-4-amino-4-oxobutanoic acid
SMILESCC(=O)N[C@@H](CC(=O)O)C(N)=O
InChIInChI=1S/C6H10N2O4/c1-3(9)8-4(6(7)12)2-5(10)11/h4H,2H2,1H3,(H2,7,12)(H,8,9)(H,10,11)/t4-/m0/s1
InChIKeyFZLYWFSBVZNFHZ-BYPYZUCNSA-N
MW174.16 g/mol
LogP-1.55
Rot. Bonds4

About (3S)-3-acetamido-4-amino-4-oxobutanoic acid

(3S)-3-acetamido-4-amino-4-oxobutanoic acid (PubChem CID 7019845) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is (3S)-3-acetamido-4-amino-4-oxobutanoic acid.

Molecular Properties

Compound Name(3S)-3-acetamido-4-amino-4-oxobutanoic acid
PubChem CID7019845
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name(3S)-3-acetamido-4-amino-4-oxobutanoic acid
SMILESCC(=O)N[C@@H](CC(=O)O)C(N)=O
InChIInChI=1S/C6H10N2O4/c1-3(9)8-4(6(7)12)2-5(10)11/h4H,2H2,1H3,(H2,7,12)(H,8,9)(H,10,11)/t4-/m0/s1
InChIKeyFZLYWFSBVZNFHZ-BYPYZUCNSA-N
XLogP-1.55
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-4-amino-4-oxobutanoic acid?
The IUPAC name of (3S)-3-acetamido-4-amino-4-oxobutanoic acid (CID 7019845) is (3S)-3-acetamido-4-amino-4-oxobutanoic acid.
What is the SMILES notation for (3S)-3-acetamido-4-amino-4-oxobutanoic acid?
The canonical SMILES for (3S)-3-acetamido-4-amino-4-oxobutanoic acid is CC(=O)N[C@@H](CC(=O)O)C(N)=O.
What is the InChIKey of (3S)-3-acetamido-4-amino-4-oxobutanoic acid?
The InChIKey is FZLYWFSBVZNFHZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-3(9)8-4(6(7)12)2-5(10)11/h4H,2H2,1H3,(H2,7,12)(H,8,9)(H,10,11)/t4-/m0/s1.
What are the key properties of (3S)-3-acetamido-4-amino-4-oxobutanoic acid?
(3S)-3-acetamido-4-amino-4-oxobutanoic acid has a molecular weight of 174.16 g/mol, XLogP of -1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-4-amino-4-oxobutanoic acid is sourced from PubChem (CID 7019845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).