(1R)-1-amino-1-propan-2-yloxypropan-2-one

C6H13NO2 — CID 167251948

IUPAC(1R)-1-amino-1-propan-2-yloxypropan-2-one
SMILESCC(=O)[C@H](N)OC(C)C
InChIInChI=1S/C6H13NO2/c1-4(2)9-6(7)5(3)8/h4,6H,7H2,1-3H3/t6-/m1/s1
InChIKeyMFOHRUQOFCBCSS-ZCFIWIBFSA-N
MW131.17 g/mol
LogP0.29
Rot. Bonds3

About (1R)-1-amino-1-propan-2-yloxypropan-2-one

(1R)-1-amino-1-propan-2-yloxypropan-2-one (PubChem CID 167251948) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (1R)-1-amino-1-propan-2-yloxypropan-2-one.

Molecular Properties

Compound Name(1R)-1-amino-1-propan-2-yloxypropan-2-one
PubChem CID167251948
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(1R)-1-amino-1-propan-2-yloxypropan-2-one
SMILESCC(=O)[C@H](N)OC(C)C
InChIInChI=1S/C6H13NO2/c1-4(2)9-6(7)5(3)8/h4,6H,7H2,1-3H3/t6-/m1/s1
InChIKeyMFOHRUQOFCBCSS-ZCFIWIBFSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-1-propan-2-yloxypropan-2-one?
The IUPAC name of (1R)-1-amino-1-propan-2-yloxypropan-2-one (CID 167251948) is (1R)-1-amino-1-propan-2-yloxypropan-2-one.
What is the SMILES notation for (1R)-1-amino-1-propan-2-yloxypropan-2-one?
The canonical SMILES for (1R)-1-amino-1-propan-2-yloxypropan-2-one is CC(=O)[C@H](N)OC(C)C.
What is the InChIKey of (1R)-1-amino-1-propan-2-yloxypropan-2-one?
The InChIKey is MFOHRUQOFCBCSS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(2)9-6(7)5(3)8/h4,6H,7H2,1-3H3/t6-/m1/s1.
What are the key properties of (1R)-1-amino-1-propan-2-yloxypropan-2-one?
(1R)-1-amino-1-propan-2-yloxypropan-2-one has a molecular weight of 131.17 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-1-propan-2-yloxypropan-2-one is sourced from PubChem (CID 167251948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).