ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate

C11H22N2O3 — CID 64597443

IUPACethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCC(C)C(C)C
InChIInChI=1S/C11H22N2O3/c1-5-16-10(14)7-13-11(15)12-6-9(4)8(2)3/h8-9H,5-7H2,1-4H3,(H2,12,13,15)
InChIKeyRATUGMHZYGQEKQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.14
Rot. Bonds6

About ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate

ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate (PubChem CID 64597443) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate
PubChem CID64597443
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCC(C)C(C)C
InChIInChI=1S/C11H22N2O3/c1-5-16-10(14)7-13-11(15)12-6-9(4)8(2)3/h8-9H,5-7H2,1-4H3,(H2,12,13,15)
InChIKeyRATUGMHZYGQEKQ-UHFFFAOYSA-N
XLogP1.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-ethoxypropylcarbamoylamino)acetate
CID 115664872
ethyl 2-(2-methylpentan-3-ylcarbamoylamino)acetate
CID 61471057
ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate
CID 106346911
ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428456
(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 113353179
ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate
CID 65043048
ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate
CID 157113144
ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
CID 60969883
ethyl 2-(hexylcarbamoylamino)acetate
CID 60648696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate (CID 64597443) is ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NCC(C)C(C)C.
What is the InChIKey of ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate?
The InChIKey is RATUGMHZYGQEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-16-10(14)7-13-11(15)12-6-9(4)8(2)3/h8-9H,5-7H2,1-4H3,(H2,12,13,15).
What are the key properties of ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate?
ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate has a molecular weight of 230.31 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate is sourced from PubChem (CID 64597443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).