[4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid

C7H14N2O4 — CID 87125367

IUPAC[4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid
SMILESCN(C)C(=O)CC(CO)NC(=O)O
InChIInChI=1S/C7H14N2O4/c1-9(2)6(11)3-5(4-10)8-7(12)13/h5,8,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyJGSHYKJZKJNXJT-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.91
Rot. Bonds4

About [4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid

[4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid (PubChem CID 87125367) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is [4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid
PubChem CID87125367
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name[4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid
SMILESCN(C)C(=O)CC(CO)NC(=O)O
InChIInChI=1S/C7H14N2O4/c1-9(2)6(11)3-5(4-10)8-7(12)13/h5,8,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyJGSHYKJZKJNXJT-UHFFFAOYSA-N
XLogP-0.91
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid?
The IUPAC name of [4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid (CID 87125367) is [4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid is CN(C)C(=O)CC(CO)NC(=O)O.
What is the InChIKey of [4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid?
The InChIKey is JGSHYKJZKJNXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-9(2)6(11)3-5(4-10)8-7(12)13/h5,8,10H,3-4H2,1-2H3,(H,12,13).
What are the key properties of [4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid?
[4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid has a molecular weight of 190.20 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 87125367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).