[(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid

C6H15N2O4P — CID 87127764

IUPAC[(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid
SMILESCC(=O)N[C@@H](CO)[C@H](C)OP(N)O
InChIInChI=1S/C6H15N2O4P/c1-4(12-13(7)11)6(3-9)8-5(2)10/h4,6,9,11H,3,7H2,1-2H3,(H,8,10)/t4-,6-,13?/m0/s1
InChIKeyIASSCPKPRZTJEZ-CNCMXLSGSA-N
MW210.17 g/mol
LogP-0.93
Rot. Bonds5

About [(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid

[(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid (PubChem CID 87127764) has the molecular formula C6H15N2O4P and a molecular weight of 210.17 g/mol. Its IUPAC name is [(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid.

Molecular Properties

Compound Name[(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid
PubChem CID87127764
Molecular FormulaC6H15N2O4P
Molecular Weight210.17 g/mol
Exact Mass210.08
IUPAC Name[(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid
SMILESCC(=O)N[C@@H](CO)[C@H](C)OP(N)O
InChIInChI=1S/C6H15N2O4P/c1-4(12-13(7)11)6(3-9)8-5(2)10/h4,6,9,11H,3,7H2,1-2H3,(H,8,10)/t4-,6-,13?/m0/s1
InChIKeyIASSCPKPRZTJEZ-CNCMXLSGSA-N
XLogP-0.93
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R)-2-acetamido-3-hydroxybutyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 152743437
N-(1,3-dihydroxybutan-2-yl)acetamide
CID 21718873
N-[(2S,3R)-1,3-dihydroxybutan-2-yl]acetamide
CID 55300303
2-[(2-Acetamido-3-hydroxybutoxy)-methoxyphosphoryl]oxyethyl-trimethylazanium
CID 59863118
N-[(2R,3R)-1,3-dihydroxybutan-2-yl]acetamide
CID 59879102
N-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide
CID 59879103
N-[(2R,3S)-1,3-dihydroxybutan-2-yl]acetamide
CID 59879105
N-[(2S)-1,3-dihydroxybutan-2-yl]acetamide
CID 59889502
N-[(2R)-1,3-dihydroxybutan-2-yl]acetamide
CID 129103240
[3-Hydroxy-2-[3-(propan-2-ylamino)propanoylamino]propyl] propan-2-yl hydrogen phosphate
CID 168749472
CID 174063779
CID 174063779
N-(2,4-dihydroxypentan-3-yl)acetamide
CID 21718869

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid?
The IUPAC name of [(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid (CID 87127764) is [(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid.
What is the SMILES notation for [(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid?
The canonical SMILES for [(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid is CC(=O)N[C@@H](CO)[C@H](C)OP(N)O.
What is the InChIKey of [(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid?
The InChIKey is IASSCPKPRZTJEZ-CNCMXLSGSA-N. The full InChI is InChI=1S/C6H15N2O4P/c1-4(12-13(7)11)6(3-9)8-5(2)10/h4,6,9,11H,3,7H2,1-2H3,(H,8,10)/t4-,6-,13?/m0/s1.
What are the key properties of [(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid?
[(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid has a molecular weight of 210.17 g/mol, XLogP of -0.93, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid is sourced from PubChem (CID 87127764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).