[amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate

C6H15N2O4P — CID 134229877

IUPAC[amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate
SMILESCC(C)OP(N)(=O)OC(=O)[C@H](C)N
InChIInChI=1S/C6H15N2O4P/c1-4(2)11-13(8,10)12-6(9)5(3)7/h4-5H,7H2,1-3H3,(H2,8,10)/t5-,13?/m0/s1
InChIKeyWOMQNHYWCCDDJD-UOVNDPRFSA-N
MW210.17 g/mol
LogP0.37
Rot. Bonds4

About [amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate

[amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate (PubChem CID 134229877) has the molecular formula C6H15N2O4P and a molecular weight of 210.17 g/mol. Its IUPAC name is [amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate
PubChem CID134229877
Molecular FormulaC6H15N2O4P
Molecular Weight210.17 g/mol
Exact Mass210.08
IUPAC Name[amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate
SMILESCC(C)OP(N)(=O)OC(=O)[C@H](C)N
InChIInChI=1S/C6H15N2O4P/c1-4(2)11-13(8,10)12-6(9)5(3)7/h4-5H,7H2,1-3H3,(H2,8,10)/t5-,13?/m0/s1
InChIKeyWOMQNHYWCCDDJD-UOVNDPRFSA-N
XLogP0.37
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate?
The IUPAC name of [amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate (CID 134229877) is [amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate.
What is the SMILES notation for [amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate?
The canonical SMILES for [amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate is CC(C)OP(N)(=O)OC(=O)[C@H](C)N.
What is the InChIKey of [amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate?
The InChIKey is WOMQNHYWCCDDJD-UOVNDPRFSA-N. The full InChI is InChI=1S/C6H15N2O4P/c1-4(2)11-13(8,10)12-6(9)5(3)7/h4-5H,7H2,1-3H3,(H2,8,10)/t5-,13?/m0/s1.
What are the key properties of [amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate?
[amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate has a molecular weight of 210.17 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(propan-2-yloxy)phosphoryl] (2S)-2-aminopropanoate is sourced from PubChem (CID 134229877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).