[1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid

C6H12N2O4 — CID 89440647

IUPAC[1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
SMILESCN(C)C(=O)C(CO)NC(=O)O
InChIInChI=1S/C6H12N2O4/c1-8(2)5(10)4(3-9)7-6(11)12/h4,7,9H,3H2,1-2H3,(H,11,12)
InChIKeyKRHSHLYBUUTYKE-UHFFFAOYSA-N
MW176.17 g/mol
LogP-1.30
Rot. Bonds3

About [1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid

[1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid (PubChem CID 89440647) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is [1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
PubChem CID89440647
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name[1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
SMILESCN(C)C(=O)C(CO)NC(=O)O
InChIInChI=1S/C6H12N2O4/c1-8(2)5(10)4(3-9)7-6(11)12/h4,7,9H,3H2,1-2H3,(H,11,12)
InChIKeyKRHSHLYBUUTYKE-UHFFFAOYSA-N
XLogP-1.30
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid (CID 89440647) is [1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid is CN(C)C(=O)C(CO)NC(=O)O.
What is the InChIKey of [1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
The InChIKey is KRHSHLYBUUTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-8(2)5(10)4(3-9)7-6(11)12/h4,7,9H,3H2,1-2H3,(H,11,12).
What are the key properties of [1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
[1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid has a molecular weight of 176.17 g/mol, XLogP of -1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 89440647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).