ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C11H21NO4 — CID 139554815

IUPACethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)C(C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-7-15-9(13)8(2)12(6)10(14)16-11(3,4)5/h8H,7H2,1-6H3
InChIKeyMKFGPUUULVOXFE-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.80
Rot. Bonds3

About ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 139554815) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID139554815
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)C(C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-7-15-9(13)8(2)12(6)10(14)16-11(3,4)5/h8H,7H2,1-6H3
InChIKeyMKFGPUUULVOXFE-UHFFFAOYSA-N
XLogP1.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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

tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
tert-butyl N-(4-chloro-3-oxobutan-2-yl)-N-methylcarbamate
CID 104701196
ethyl 3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 10682716
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
ethyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate
CID 118543734
ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate
CID 154665114
tert-butyl N-[(E)-4-amino-3-[amino(methyl)amino]-4-bromobut-3-en-2-yl]-N-methylcarbamate
CID 177044855
ethyl 2-[carbonochloridoyl(methyl)amino]propanoate
CID 134323297
tert-butyl N-[(2S)-1-cyanopropan-2-yl]-N-methylcarbamate
CID 52908331
ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91718895
tert-butyl N-(1-isocyanopropan-2-yl)-N-methylcarbamate
CID 82658144

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 139554815) is ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is CCOC(=O)C(C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is MKFGPUUULVOXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7-15-9(13)8(2)12(6)10(14)16-11(3,4)5/h8H,7H2,1-6H3.
What are the key properties of ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 231.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 139554815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).