methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate

C11H22N2O4 — CID 4204339

IUPACmethyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCCNC(=O)NC(COC(C)(C)C)C(=O)OC
InChIInChI=1S/C11H22N2O4/c1-6-12-10(15)13-8(9(14)16-5)7-17-11(2,3)4/h8H,6-7H2,1-5H3,(H2,12,13,15)
InChIKeyUSRPGGQPWKFLOB-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.66
Rot. Bonds5

About methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate

methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 4204339) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID4204339
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCCNC(=O)NC(COC(C)(C)C)C(=O)OC
InChIInChI=1S/C11H22N2O4/c1-6-12-10(15)13-8(9(14)16-5)7-17-11(2,3)4/h8H,6-7H2,1-5H3,(H2,12,13,15)
InChIKeyUSRPGGQPWKFLOB-UHFFFAOYSA-N
XLogP0.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enylcarbamoylamino)propanoate
CID 4204342
methyl 2-[(2,6-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3701206
(2S)-2-(2,2-difluoroethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 112737581
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 162342994
methyl 2-(ethylcarbamoylamino)propanoate
CID 60980356
methyl 2-[(3-fluorophenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3679334
(2S)-2-(cyclobutylmethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 112737539
methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3773328
methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 139757368
methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3745244
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 23363391

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate (CID 4204339) is methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate is CCNC(=O)NC(COC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is USRPGGQPWKFLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-6-12-10(15)13-8(9(14)16-5)7-17-11(2,3)4/h8H,6-7H2,1-5H3,(H2,12,13,15).
What are the key properties of methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate?
methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 246.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 4204339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).