4-acetyloxy-2-aminobutanoic acid

C6H11NO4 — CID 528

IUPAC4-acetyloxy-2-aminobutanoic acid
SMILESCC(=O)OCCC(N)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)
InChIKeyFCXZBWSIAGGPCB-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.65
Rot. Bonds4

About 4-acetyloxy-2-aminobutanoic acid

4-acetyloxy-2-aminobutanoic acid (PubChem CID 528) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-acetyloxy-2-aminobutanoic acid.

Molecular Properties

Compound Name4-acetyloxy-2-aminobutanoic acid
PubChem CID528
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name4-acetyloxy-2-aminobutanoic acid
SMILESCC(=O)OCCC(N)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)
InChIKeyFCXZBWSIAGGPCB-UHFFFAOYSA-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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Related Compounds

L-Homoserine
CID 12647
L-Canaline
CID 441443
DL-Homoserine
CID 779
O-Succinylhomoserine
CID 439406
L-homoserine zwitterion
CID 6971022
D-Homoserine
CID 2724170
O-Acetyl-L-homoserine
CID 439389
(3S)-3-Amino-4-hydroxybutanoic acid
CID 1502045
(3S)-3-amino-4-methoxy-4-oxobutanoic acid
CID 6994682
O-Methylhomoserine
CID 18713
Aspartic acid beta-methyl ester
CID 97368
[(1S)-1,2-dicarboxyethyl]azanium
CID 70701347

Frequently Asked Questions

What is the IUPAC name of 4-acetyloxy-2-aminobutanoic acid?
The IUPAC name of 4-acetyloxy-2-aminobutanoic acid (CID 528) is 4-acetyloxy-2-aminobutanoic acid.
What is the SMILES notation for 4-acetyloxy-2-aminobutanoic acid?
The canonical SMILES for 4-acetyloxy-2-aminobutanoic acid is CC(=O)OCCC(N)C(=O)O.
What is the InChIKey of 4-acetyloxy-2-aminobutanoic acid?
The InChIKey is FCXZBWSIAGGPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10).
What are the key properties of 4-acetyloxy-2-aminobutanoic acid?
4-acetyloxy-2-aminobutanoic 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 4-acetyloxy-2-aminobutanoic acid is sourced from PubChem (CID 528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).