(1-amino-1-formyloxypropan-2-yl)phosphonic acid

C4H10NO5P — CID 90859967

IUPAC(1-amino-1-formyloxypropan-2-yl)phosphonic acid
SMILESCC(C(N)OC=O)P(=O)(O)O
InChIInChI=1S/C4H10NO5P/c1-3(11(7,8)9)4(5)10-2-6/h2-4H,5H2,1H3,(H2,7,8,9)
InChIKeyQUBDIJLYEADXEW-UHFFFAOYSA-N
MW183.10 g/mol
LogP-0.99
Rot. Bonds4

About (1-amino-1-formyloxypropan-2-yl)phosphonic acid

(1-amino-1-formyloxypropan-2-yl)phosphonic acid (PubChem CID 90859967) has the molecular formula C4H10NO5P and a molecular weight of 183.10 g/mol. Its IUPAC name is (1-amino-1-formyloxypropan-2-yl)phosphonic acid.

Molecular Properties

Compound Name(1-amino-1-formyloxypropan-2-yl)phosphonic acid
PubChem CID90859967
Molecular FormulaC4H10NO5P
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Name(1-amino-1-formyloxypropan-2-yl)phosphonic acid
SMILESCC(C(N)OC=O)P(=O)(O)O
InChIInChI=1S/C4H10NO5P/c1-3(11(7,8)9)4(5)10-2-6/h2-4H,5H2,1H3,(H2,7,8,9)
InChIKeyQUBDIJLYEADXEW-UHFFFAOYSA-N
XLogP-0.99
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (1-amino-1-formyloxypropan-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

1-formyloxyethylphosphonic acid
CID 174693537
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
(1-formyloxy-2-methylpropyl) (2S)-2-amino-3,3-dimethylbutanoate
CID 121405668
1-(1-aminoethylsulfanyl)ethyl formate
CID 173239383
propan-2-yl formate;dihydrochloride
CID 141306590
[(2R)-2-aminopropyl]phosphonic acid
CID 92524852
[(1S)-1-formyloxy-2-methylpropyl] (2S)-2-amino-3-methylbutanoate
CID 121405560
(1-formyloxy-2-methylpropyl) 2-amino-3-methylbutanoate
CID 121405709
1-hydroxypropan-2-yl formate
CID 22152793
1-iodoethyl formate
CID 54523341
(2-aminopropylamino)methylphosphonic acid
CID 174921252
(1-chloro-1-oxopropan-2-yl) formate
CID 89290637

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-formyloxypropan-2-yl)phosphonic acid?
The IUPAC name of (1-amino-1-formyloxypropan-2-yl)phosphonic acid (CID 90859967) is (1-amino-1-formyloxypropan-2-yl)phosphonic acid.
What is the SMILES notation for (1-amino-1-formyloxypropan-2-yl)phosphonic acid?
The canonical SMILES for (1-amino-1-formyloxypropan-2-yl)phosphonic acid is CC(C(N)OC=O)P(=O)(O)O.
What is the InChIKey of (1-amino-1-formyloxypropan-2-yl)phosphonic acid?
The InChIKey is QUBDIJLYEADXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO5P/c1-3(11(7,8)9)4(5)10-2-6/h2-4H,5H2,1H3,(H2,7,8,9).
What are the key properties of (1-amino-1-formyloxypropan-2-yl)phosphonic acid?
(1-amino-1-formyloxypropan-2-yl)phosphonic acid has a molecular weight of 183.10 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-formyloxypropan-2-yl)phosphonic acid is sourced from PubChem (CID 90859967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).