dimethylamino(2-oxoethyl)carbamic acid

C5H10N2O3 — CID 87411487

IUPACdimethylamino(2-oxoethyl)carbamic acid
SMILESCN(C)N(CC=O)C(=O)O
InChIInChI=1S/C5H10N2O3/c1-6(2)7(3-4-8)5(9)10/h4H,3H2,1-2H3,(H,9,10)
InChIKeyFRWSUIVPVMGYLY-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.36
Rot. Bonds3

About dimethylamino(2-oxoethyl)carbamic acid

dimethylamino(2-oxoethyl)carbamic acid (PubChem CID 87411487) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is dimethylamino(2-oxoethyl)carbamic acid.

Molecular Properties

Compound Namedimethylamino(2-oxoethyl)carbamic acid
PubChem CID87411487
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Namedimethylamino(2-oxoethyl)carbamic acid
SMILESCN(C)N(CC=O)C(=O)O
InChIInChI=1S/C5H10N2O3/c1-6(2)7(3-4-8)5(9)10/h4H,3H2,1-2H3,(H,9,10)
InChIKeyFRWSUIVPVMGYLY-UHFFFAOYSA-N
XLogP-0.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-oxoethyl(propan-2-yl)carbamic acid
CID 87170013
N-methyl-N-(2-oxoethyl)acetamide
CID 15885752
N,N'-dimethyl-N'-(2-oxoethyl)acetohydrazide
CID 174398754
2-oxoethyl(prop-2-enyl)carbamic acid
CID 22125686
hydrazinyl(2-oxoethyl)carbamic acid
CID 87761818
2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxoethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethane
CID 164569892
ethyl N-methyl-N-(2-oxoethyl)carbamate
CID 126971639
2-[2-[carboxymethyl(2-oxoethyl)amino]ethyl-(2-oxoethyl)amino]acetic acid
CID 57165525
CID 21029276
CID 21029276
N-ethyl-N-(2-oxoethyl)acetamide
CID 23525604
2-(dimethylamino)-3-methyl-5-oxopentanoic acid
CID 175114199
2-[methoxy(methyl)amino]acetaldehyde
CID 87956283

Frequently Asked Questions

What is the IUPAC name of dimethylamino(2-oxoethyl)carbamic acid?
The IUPAC name of dimethylamino(2-oxoethyl)carbamic acid (CID 87411487) is dimethylamino(2-oxoethyl)carbamic acid.
What is the SMILES notation for dimethylamino(2-oxoethyl)carbamic acid?
The canonical SMILES for dimethylamino(2-oxoethyl)carbamic acid is CN(C)N(CC=O)C(=O)O.
What is the InChIKey of dimethylamino(2-oxoethyl)carbamic acid?
The InChIKey is FRWSUIVPVMGYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-6(2)7(3-4-8)5(9)10/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of dimethylamino(2-oxoethyl)carbamic acid?
dimethylamino(2-oxoethyl)carbamic acid has a molecular weight of 146.15 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino(2-oxoethyl)carbamic acid is sourced from PubChem (CID 87411487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).