(2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one

C6H15N2O3P — CID 91473852

IUPAC(2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one
SMILESCC(C)OP(N)(=O)C(=O)[C@H](C)N
InChIInChI=1S/C6H15N2O3P/c1-4(2)11-12(8,10)6(9)5(3)7/h4-5H,7H2,1-3H3,(H2,8,10)/t5-,12?/m0/s1
InChIKeyQGBGGPXEFDURKG-XHBICQFHSA-N
MW194.17 g/mol
LogP0.44
Rot. Bonds4

About (2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one

(2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one (PubChem CID 91473852) has the molecular formula C6H15N2O3P and a molecular weight of 194.17 g/mol. Its IUPAC name is (2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one
PubChem CID91473852
Molecular FormulaC6H15N2O3P
Molecular Weight194.17 g/mol
Exact Mass194.08
IUPAC Name(2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one
SMILESCC(C)OP(N)(=O)C(=O)[C@H](C)N
InChIInChI=1S/C6H15N2O3P/c1-4(2)11-12(8,10)6(9)5(3)7/h4-5H,7H2,1-3H3,(H2,8,10)/t5-,12?/m0/s1
InChIKeyQGBGGPXEFDURKG-XHBICQFHSA-N
XLogP0.44
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one (CID 91473852) is (2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one is CC(C)OP(N)(=O)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one?
The InChIKey is QGBGGPXEFDURKG-XHBICQFHSA-N. The full InChI is InChI=1S/C6H15N2O3P/c1-4(2)11-12(8,10)6(9)5(3)7/h4-5H,7H2,1-3H3,(H2,8,10)/t5-,12?/m0/s1.
What are the key properties of (2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one?
(2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one has a molecular weight of 194.17 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one is sourced from PubChem (CID 91473852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).