ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate

C12H24N2O3 — CID 65043048

IUPACethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NC(CC)(CC)CC
InChIInChI=1S/C12H24N2O3/c1-5-12(6-2,7-3)14-11(16)13-9-10(15)17-8-4/h5-9H2,1-4H3,(H2,13,14,16)
InChIKeyCNCHYZZJTRUBDP-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.82
Rot. Bonds7

About ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate

ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate (PubChem CID 65043048) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate
PubChem CID65043048
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NC(CC)(CC)CC
InChIInChI=1S/C12H24N2O3/c1-5-12(6-2,7-3)14-11(16)13-9-10(15)17-8-4/h5-9H2,1-4H3,(H2,13,14,16)
InChIKeyCNCHYZZJTRUBDP-UHFFFAOYSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428456
ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
CID 60969883
ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate
CID 108914495
ethyl 2-(hexylcarbamoylamino)acetate
CID 60648696
ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate
CID 64597443
ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate
CID 60656231
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 18320032

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate (CID 65043048) is ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NC(CC)(CC)CC.
What is the InChIKey of ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate?
The InChIKey is CNCHYZZJTRUBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-12(6-2,7-3)14-11(16)13-9-10(15)17-8-4/h5-9H2,1-4H3,(H2,13,14,16).
What are the key properties of ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate?
ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate has a molecular weight of 244.33 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate is sourced from PubChem (CID 65043048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).