2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid

C5H13N2O5P — CID 87479574

IUPAC2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid
SMILESNC(=O)C(CO)NCCP(=O)(O)O
InChIInChI=1S/C5H13N2O5P/c6-5(9)4(3-8)7-1-2-13(10,11)12/h4,7-8H,1-3H2,(H2,6,9)(H2,10,11,12)
InChIKeyDCJLODPATONPQK-UHFFFAOYSA-N
MW212.14 g/mol
LogP-2.40
Rot. Bonds6

About 2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid

2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid (PubChem CID 87479574) has the molecular formula C5H13N2O5P and a molecular weight of 212.14 g/mol. Its IUPAC name is 2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid.

Molecular Properties

Compound Name2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid
PubChem CID87479574
Molecular FormulaC5H13N2O5P
Molecular Weight212.14 g/mol
Exact Mass212.06
IUPAC Name2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid
SMILESNC(=O)C(CO)NCCP(=O)(O)O
InChIInChI=1S/C5H13N2O5P/c6-5(9)4(3-8)7-1-2-13(10,11)12/h4,7-8H,1-3H2,(H2,6,9)(H2,10,11,12)
InChIKeyDCJLODPATONPQK-UHFFFAOYSA-N
XLogP-2.40
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 5-2.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]ethylphosphonic acid
CID 68512936
3-hydroxy-2-(methylamino)propanamide
CID 14241499
(2S)-3-hydroxy-2-(methylamino)propanamide
CID 10486833
3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide
CID 104711195
(2R)-3-hydroxy-2-(phosphanylamino)propanamide
CID 89122191
(2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid
CID 25153772
[(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid
CID 23728613
(2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride
CID 67666969
[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]methylphosphonic acid
CID 174568005
[(3R)-3,4-diamino-4-oxobutyl]phosphonic acid
CID 174557406
3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride
CID 23302048
2-(2-aminoethylamino)butanamide
CID 62900229

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid?
The IUPAC name of 2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid (CID 87479574) is 2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid.
What is the SMILES notation for 2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid?
The canonical SMILES for 2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid is NC(=O)C(CO)NCCP(=O)(O)O.
What is the InChIKey of 2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid?
The InChIKey is DCJLODPATONPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N2O5P/c6-5(9)4(3-8)7-1-2-13(10,11)12/h4,7-8H,1-3H2,(H2,6,9)(H2,10,11,12).
What are the key properties of 2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid?
2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid has a molecular weight of 212.14 g/mol, XLogP of -2.40, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid is sourced from PubChem (CID 87479574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).