[4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid

C7H14N2O3 — CID 87428469

IUPAC[4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)CN(C)C
InChIInChI=1S/C7H14N2O3/c1-5(8-7(11)12)6(10)4-9(2)3/h5,8H,4H2,1-3H3,(H,11,12)
InChIKeyOHVKEDTWBPKUDO-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.23
Rot. Bonds4

About [4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid

[4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid (PubChem CID 87428469) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is [4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid
PubChem CID87428469
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name[4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)CN(C)C
InChIInChI=1S/C7H14N2O3/c1-5(8-7(11)12)6(10)4-9(2)3/h5,8H,4H2,1-3H3,(H,11,12)
InChIKeyOHVKEDTWBPKUDO-UHFFFAOYSA-N
XLogP-0.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid?
The IUPAC name of [4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid (CID 87428469) is [4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid is CC(NC(=O)O)C(=O)CN(C)C.
What is the InChIKey of [4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid?
The InChIKey is OHVKEDTWBPKUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(8-7(11)12)6(10)4-9(2)3/h5,8H,4H2,1-3H3,(H,11,12).
What are the key properties of [4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid?
[4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid has a molecular weight of 174.20 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 87428469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).