3-[acetyl(hydroxy)amino]propanoic acid

C5H9NO4 — CID 22959876

IUPAC3-[acetyl(hydroxy)amino]propanoic acid
SMILESCC(=O)N(O)CCC(=O)O
InChIInChI=1S/C5H9NO4/c1-4(7)6(10)3-2-5(8)9/h10H,2-3H2,1H3,(H,8,9)
InChIKeyLHKANXXRMMZCKB-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.30
Rot. Bonds3

About 3-[acetyl(hydroxy)amino]propanoic acid

3-[acetyl(hydroxy)amino]propanoic acid (PubChem CID 22959876) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 3-[acetyl(hydroxy)amino]propanoic acid.

Molecular Properties

Compound Name3-[acetyl(hydroxy)amino]propanoic acid
PubChem CID22959876
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name3-[acetyl(hydroxy)amino]propanoic acid
SMILESCC(=O)N(O)CCC(=O)O
InChIInChI=1S/C5H9NO4/c1-4(7)6(10)3-2-5(8)9/h10H,2-3H2,1H3,(H,8,9)
InChIKeyLHKANXXRMMZCKB-UHFFFAOYSA-N
XLogP-0.30
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(N-methylacetamido)propanoic acid
CID 541580
3-[4-[Butyl(methyl)amino]butanoyl-hydroxyamino]propanoic acid
CID 122181579
3-(Diacetylamino)propanoic acid
CID 13408783
3-(N-Hydroxyformamido)Propanoic Acid
CID 53319111
3-[3-[Butyl(methyl)amino]propanoyl-hydroxyamino]propanoic acid
CID 122181578
N-(2-carboxyethyl)-N-hydroxy-beta-Alanine
CID 15055160
N-Methoxy-N-acetyl-2-carbomethoxyethylamine
CID 548281
3-[Ethyl(hydroxy)amino]propanoic acid
CID 20307296
3-[Methyl(propanoyl)amino]propanoic acid
CID 20313894
3-[Formyl(methoxy)amino]propanoic acid
CID 20729907
3-[Hydroxy(propyl)amino]propanoic acid
CID 20776666
3-[Acetyl(chloro)amino]propanoic acid
CID 21446198

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(hydroxy)amino]propanoic acid?
The IUPAC name of 3-[acetyl(hydroxy)amino]propanoic acid (CID 22959876) is 3-[acetyl(hydroxy)amino]propanoic acid.
What is the SMILES notation for 3-[acetyl(hydroxy)amino]propanoic acid?
The canonical SMILES for 3-[acetyl(hydroxy)amino]propanoic acid is CC(=O)N(O)CCC(=O)O.
What is the InChIKey of 3-[acetyl(hydroxy)amino]propanoic acid?
The InChIKey is LHKANXXRMMZCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-4(7)6(10)3-2-5(8)9/h10H,2-3H2,1H3,(H,8,9).
What are the key properties of 3-[acetyl(hydroxy)amino]propanoic acid?
3-[acetyl(hydroxy)amino]propanoic acid has a molecular weight of 147.13 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(hydroxy)amino]propanoic acid is sourced from PubChem (CID 22959876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).