1-(dimethylamino)propan-2-yl 2-hydroxyacetate

C7H15NO3 — CID 175391300

IUPAC1-(dimethylamino)propan-2-yl 2-hydroxyacetate
SMILESCC(CN(C)C)OC(=O)CO
InChIInChI=1S/C7H15NO3/c1-6(4-8(2)3)11-7(10)5-9/h6,9H,4-5H2,1-3H3
InChIKeyBVGZDGDMXQWZFW-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.53
Rot. Bonds4

About 1-(dimethylamino)propan-2-yl 2-hydroxyacetate

1-(dimethylamino)propan-2-yl 2-hydroxyacetate (PubChem CID 175391300) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(dimethylamino)propan-2-yl 2-hydroxyacetate.

Molecular Properties

Compound Name1-(dimethylamino)propan-2-yl 2-hydroxyacetate
PubChem CID175391300
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name1-(dimethylamino)propan-2-yl 2-hydroxyacetate
SMILESCC(CN(C)C)OC(=O)CO
InChIInChI=1S/C7H15NO3/c1-6(4-8(2)3)11-7(10)5-9/h6,9H,4-5H2,1-3H3
InChIKeyBVGZDGDMXQWZFW-UHFFFAOYSA-N
XLogP-0.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate
CID 155111213
1-(dimethylamino)propan-2-yl butanoate
CID 23423565
1-(dimethylamino)propan-2-yl decanoate
CID 25190133
1-(dimethylamino)ethyl 2-hydroxyacetate
CID 154486667
2-[1-(dimethylamino)propan-2-yloxy]acetic acid
CID 138038028
butan-2-yl 2-(dimethylamino)acetate
CID 134215874
1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate
CID 176891960
1-(dimethylamino)propan-2-yl 2-(1,4-diazepan-1-yl)acetate
CID 112741380
1-(2-hydroxyacetyl)oxyethanesulfonic acid
CID 174546702
[(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate
CID 89488956
oct-7-en-2-yl 2-hydroxyacetate
CID 87314552
1-(dimethylamino)propan-2-yl 4-acetamidobenzoate
CID 13475783

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)propan-2-yl 2-hydroxyacetate?
The IUPAC name of 1-(dimethylamino)propan-2-yl 2-hydroxyacetate (CID 175391300) is 1-(dimethylamino)propan-2-yl 2-hydroxyacetate.
What is the SMILES notation for 1-(dimethylamino)propan-2-yl 2-hydroxyacetate?
The canonical SMILES for 1-(dimethylamino)propan-2-yl 2-hydroxyacetate is CC(CN(C)C)OC(=O)CO.
What is the InChIKey of 1-(dimethylamino)propan-2-yl 2-hydroxyacetate?
The InChIKey is BVGZDGDMXQWZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(4-8(2)3)11-7(10)5-9/h6,9H,4-5H2,1-3H3.
What are the key properties of 1-(dimethylamino)propan-2-yl 2-hydroxyacetate?
1-(dimethylamino)propan-2-yl 2-hydroxyacetate has a molecular weight of 161.20 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propan-2-yl 2-hydroxyacetate is sourced from PubChem (CID 175391300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).