[1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid

C6H14NO5P — CID 88816768

IUPAC[1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid
SMILESCCCC(CO)(C(N)=O)P(=O)(O)O
InChIInChI=1S/C6H14NO5P/c1-2-3-6(4-8,5(7)9)13(10,11)12/h8H,2-4H2,1H3,(H2,7,9)(H2,10,11,12)
InChIKeyPTWICQTXRWBMNH-UHFFFAOYSA-N
MW211.15 g/mol
LogP-0.82
Rot. Bonds5

About [1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid

[1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid (PubChem CID 88816768) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is [1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid
PubChem CID88816768
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name[1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid
SMILESCCCC(CO)(C(N)=O)P(=O)(O)O
InChIInChI=1S/C6H14NO5P/c1-2-3-6(4-8,5(7)9)13(10,11)12/h8H,2-4H2,1H3,(H2,7,9)(H2,10,11,12)
InChIKeyPTWICQTXRWBMNH-UHFFFAOYSA-N
XLogP-0.82
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic 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

4-phosphonoheptan-4-ylphosphonic acid
CID 87800528
phosphoric acid;propanamide
CID 175475634
2-(2-hydroxyethyl)-2-propylpentanamide
CID 21402951
1-amino-2-(hydroxymethyl)-1-oxopentane-2-sulfonic acid
CID 174457152
2-ethyl-2-phosphonohexanoic acid
CID 88688583
2-fluoro-2-methylpentanamide
CID 134346431
2-ethyl-2-propylpentanamide
CID 10352144
2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide
CID 88816840
7-ethoxycarbonyltridecan-7-ylphosphonic acid
CID 87376243
3-(2-ethoxy-2-oxoethoxy)hexan-3-ylphosphonic acid
CID 22400721
2,2-dipropylpentanediamide;hydrochloride
CID 174451437
3-carbonochloridoylpentan-3-ylphosphonic acid
CID 22349208

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid?
The IUPAC name of [1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid (CID 88816768) is [1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid.
What is the SMILES notation for [1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid?
The canonical SMILES for [1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid is CCCC(CO)(C(N)=O)P(=O)(O)O.
What is the InChIKey of [1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid?
The InChIKey is PTWICQTXRWBMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO5P/c1-2-3-6(4-8,5(7)9)13(10,11)12/h8H,2-4H2,1H3,(H2,7,9)(H2,10,11,12).
What are the key properties of [1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid?
[1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid has a molecular weight of 211.15 g/mol, XLogP of -0.82, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(hydroxymethyl)-1-oxopentan-2-yl]phosphonic acid is sourced from PubChem (CID 88816768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).