2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid

C5H12NO4P — CID 78066634

IUPAC2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid
SMILESCCP(=O)(O)CC(N)C(=O)O
InChIInChI=1S/C5H12NO4P/c1-2-11(9,10)3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)
InChIKeyGBHQGQJYRFFPSI-UHFFFAOYSA-N
MW181.13 g/mol
LogP-0.31
Rot. Bonds4

About 2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid

2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid (PubChem CID 78066634) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is 2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid
PubChem CID78066634
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Name2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid
SMILESCCP(=O)(O)CC(N)C(=O)O
InChIInChI=1S/C5H12NO4P/c1-2-11(9,10)3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)
InChIKeyGBHQGQJYRFFPSI-UHFFFAOYSA-N
XLogP-0.31
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethylphosphinic acid
CID 123698390
2-aminobutanoic acid;ethane
CID 90764297
aluminum 2-aminobutanoic acid
CID 19792235
2-aminobutanoic acid;sulfane
CID 162128083
2-amino-3-hydroxypropanoic acid;aminophosphonic acid
CID 118456390
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 4794
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922
(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane
CID 13034856
sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride
CID 173033369
2-amino-3-phosphonosulfanylpropanoic acid
CID 4628124

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid?
The IUPAC name of 2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid (CID 78066634) is 2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid.
What is the SMILES notation for 2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid?
The canonical SMILES for 2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid is CCP(=O)(O)CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid?
The InChIKey is GBHQGQJYRFFPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P/c1-2-11(9,10)3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid?
2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid has a molecular weight of 181.13 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid is sourced from PubChem (CID 78066634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).