2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid

C6H15N2O5P — CID 88728987

IUPAC2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
SMILESNPOCC(CO)(CO)NCC(=O)O
InChIInChI=1S/C6H15N2O5P/c7-14-13-4-6(2-9,3-10)8-1-5(11)12/h8-10,14H,1-4,7H2,(H,11,12)
InChIKeyAHIBMJZOPFVSDL-UHFFFAOYSA-N
MW226.17 g/mol
LogP-2.13
Rot. Bonds8

About 2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid

2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid (PubChem CID 88728987) has the molecular formula C6H15N2O5P and a molecular weight of 226.17 g/mol. Its IUPAC name is 2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
PubChem CID88728987
Molecular FormulaC6H15N2O5P
Molecular Weight226.17 g/mol
Exact Mass226.07
IUPAC Name2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
SMILESNPOCC(CO)(CO)NCC(=O)O
InChIInChI=1S/C6H15N2O5P/c7-14-13-4-6(2-9,3-10)8-1-5(11)12/h8-10,14H,1-4,7H2,(H,11,12)
InChIKeyAHIBMJZOPFVSDL-UHFFFAOYSA-N
XLogP-2.13
TPSA125.04 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 5-2.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2-[[1-aminooxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid);sulfuric acid
CID 173182675
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;hydrochloride
CID 22311667
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;λ2-stannane
CID 173200141
2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphonooxypropan-2-yl]amino]acetic acid
CID 54524279
sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide
CID 175526347
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid
CID 23451902
tris(2-[bis(2-hydroxyethyl)amino]acetic acid);2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
CID 173011257
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 18320032
methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 54443820
2-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]prop-2-enoic acid
CID 107853969
2-(1,1-diaminoethylamino)acetic acid
CID 87239108
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-methylbut-2-enoic acid
CID 107853982

Frequently Asked Questions

What is the IUPAC name of 2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid (CID 88728987) is 2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid is NPOCC(CO)(CO)NCC(=O)O.
What is the InChIKey of 2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid?
The InChIKey is AHIBMJZOPFVSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2O5P/c7-14-13-4-6(2-9,3-10)8-1-5(11)12/h8-10,14H,1-4,7H2,(H,11,12).
What are the key properties of 2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid?
2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid has a molecular weight of 226.17 g/mol, XLogP of -2.13, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid is sourced from PubChem (CID 88728987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).