tert-butyl 2-[carbamoyl(methyl)amino]acetate

C8H16N2O3 — CID 90191357

IUPACtert-butyl 2-[carbamoyl(methyl)amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-8(2,3)13-6(11)5-10(4)7(9)12/h5H2,1-4H3,(H2,9,12)
InChIKeyURMSRHSASBAGQV-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.34
Rot. Bonds2

About tert-butyl 2-[carbamoyl(methyl)amino]acetate

tert-butyl 2-[carbamoyl(methyl)amino]acetate (PubChem CID 90191357) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is tert-butyl 2-[carbamoyl(methyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[carbamoyl(methyl)amino]acetate
PubChem CID90191357
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nametert-butyl 2-[carbamoyl(methyl)amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-8(2,3)13-6(11)5-10(4)7(9)12/h5H2,1-4H3,(H2,9,12)
InChIKeyURMSRHSASBAGQV-UHFFFAOYSA-N
XLogP0.34
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[amino(methyl)amino]acetate
CID 11805056
tert-butyl 2-[benzoyl(methyl)amino]acetate
CID 78991310
tert-butyl 2-[methyl(methylsulfonylmethyl)amino]acetate
CID 146649341
tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 23510744
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
tert-butyl 3-amino-3-hydroxyiminopropanoate
CID 76589802
tert-butyl 2-[(2-aminoacetyl)-[(2-aminoacetyl)-(2-oxopropyl)amino]amino]acetate
CID 170067819
tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 135140582
tert-butyl 2-aminoacetate;ethane
CID 143116857
tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 78991307
tert-butyl 3-amino-3-methyliminopropanoate;ethane
CID 142912028
tert-butyl 2-[methyl-[2-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethylamino]ethyl]amino]acetate;molecular hydrogen
CID 145159668

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[carbamoyl(methyl)amino]acetate?
The IUPAC name of tert-butyl 2-[carbamoyl(methyl)amino]acetate (CID 90191357) is tert-butyl 2-[carbamoyl(methyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[carbamoyl(methyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[carbamoyl(methyl)amino]acetate is CN(CC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl 2-[carbamoyl(methyl)amino]acetate?
The InChIKey is URMSRHSASBAGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,3)13-6(11)5-10(4)7(9)12/h5H2,1-4H3,(H2,9,12).
What are the key properties of tert-butyl 2-[carbamoyl(methyl)amino]acetate?
tert-butyl 2-[carbamoyl(methyl)amino]acetate has a molecular weight of 188.23 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[carbamoyl(methyl)amino]acetate is sourced from PubChem (CID 90191357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).