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

C7H14N2O4 — CID 87544952

IUPAC[(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid
SMILESCN(C)C(=O)C[C@H](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)/t5-/m1/s1
InChIKeyJGSHYKJZKJNXJT-RXMQYKEDSA-N
MW190.20 g/mol
LogP-0.91
Rot. Bonds4

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

[(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid (PubChem CID 87544952) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is [(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid
PubChem CID87544952
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name[(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid
SMILESCN(C)C(=O)C[C@H](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)/t5-/m1/s1
InChIKeyJGSHYKJZKJNXJT-RXMQYKEDSA-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 [(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid?
The IUPAC name of [(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid (CID 87544952) is [(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid is CN(C)C(=O)C[C@H](CO)NC(=O)O.
What is the InChIKey of [(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid?
The InChIKey is JGSHYKJZKJNXJT-RXMQYKEDSA-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)/t5-/m1/s1.
What are the key properties of [(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid?
[(2R)-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 [(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 87544952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).