(carbamoylamino)methyl 2,2-dimethylpropanoate

C7H14N2O3 — CID 147206846

IUPAC(carbamoylamino)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCNC(N)=O
InChIInChI=1S/C7H14N2O3/c1-7(2,3)5(10)12-4-9-6(8)11/h4H2,1-3H3,(H3,8,9,11)
InChIKeyCELBBICYBSNZAB-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.20
Rot. Bonds2

About (carbamoylamino)methyl 2,2-dimethylpropanoate

(carbamoylamino)methyl 2,2-dimethylpropanoate (PubChem CID 147206846) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (carbamoylamino)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(carbamoylamino)methyl 2,2-dimethylpropanoate
PubChem CID147206846
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(carbamoylamino)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCNC(N)=O
InChIInChI=1S/C7H14N2O3/c1-7(2,3)5(10)12-4-9-6(8)11/h4H2,1-3H3,(H3,8,9,11)
InChIKeyCELBBICYBSNZAB-UHFFFAOYSA-N
XLogP0.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
CID 175568582
(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
CID 10583373
(3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate
CID 10035882
[(1-methylpyridin-1-ium-3-carbonyl)amino]methyl 2,2-dimethylpropanoate
CID 163204268
methylcarbamoyloxymethyl 2,2-dimethylpropanoate
CID 126555369
(propan-2-ylideneamino)oxymethylurea
CID 55291563
(2-methyl-2-silyloxypropyl)urea
CID 173059861
dimethylphosphoryloxymethyl 2,2-dimethylpropanoate
CID 59034886
2,2-difluoropropylurea
CID 123994656
2-aminooxyethyl 2,2-dimethylpropanoate
CID 130209024
[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527

Frequently Asked Questions

What is the IUPAC name of (carbamoylamino)methyl 2,2-dimethylpropanoate?
The IUPAC name of (carbamoylamino)methyl 2,2-dimethylpropanoate (CID 147206846) is (carbamoylamino)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (carbamoylamino)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (carbamoylamino)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCNC(N)=O.
What is the InChIKey of (carbamoylamino)methyl 2,2-dimethylpropanoate?
The InChIKey is CELBBICYBSNZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-7(2,3)5(10)12-4-9-6(8)11/h4H2,1-3H3,(H3,8,9,11).
What are the key properties of (carbamoylamino)methyl 2,2-dimethylpropanoate?
(carbamoylamino)methyl 2,2-dimethylpropanoate has a molecular weight of 174.20 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (carbamoylamino)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 147206846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).