3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid

C10H18N2O5 — CID 115428456

IUPAC3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
SMILESCCOC(=O)CNC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-4-17-7(13)5-11-9(16)12-6-10(2,3)8(14)15/h4-6H2,1-3H3,(H,14,15)(H2,11,12,16)
InChIKeyGJQBXXHLVWMARS-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.04
Rot. Bonds6

About 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid

3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid (PubChem CID 115428456) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
PubChem CID115428456
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
SMILESCCOC(=O)CNC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-4-17-7(13)5-11-9(16)12-6-10(2,3)8(14)15/h4-6H2,1-3H3,(H,14,15)(H2,11,12,16)
InChIKeyGJQBXXHLVWMARS-UHFFFAOYSA-N
XLogP-0.04
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate
CID 113278352
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428434
ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618034
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428627
2,2-dimethyl-3-(pentylcarbamoylamino)propanoic acid
CID 115428270
(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 113353179
ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate
CID 65043048
2,2-dimethyl-3-(2,2,3-trimethylbutylcarbamoylamino)propanoic acid
CID 114101334
ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
CID 60969883

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid (CID 115428456) is 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid is CCOC(=O)CNC(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid?
The InChIKey is GJQBXXHLVWMARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-4-17-7(13)5-11-9(16)12-6-10(2,3)8(14)15/h4-6H2,1-3H3,(H,14,15)(H2,11,12,16).
What are the key properties of 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid?
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115428456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).