methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate

C11H22N2O3 — CID 65441847

IUPACmethyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate
SMILESCCN(CC(NC(C)=O)C(=O)OC)C(C)C
InChIInChI=1S/C11H22N2O3/c1-6-13(8(2)3)7-10(11(15)16-5)12-9(4)14/h8,10H,6-7H2,1-5H3,(H,12,14)
InChIKeyLOYZSINIVODRFH-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.39
Rot. Bonds6

About methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate

methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate (PubChem CID 65441847) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate
PubChem CID65441847
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate
SMILESCCN(CC(NC(C)=O)C(=O)OC)C(C)C
InChIInChI=1S/C11H22N2O3/c1-6-13(8(2)3)7-10(11(15)16-5)12-9(4)14/h8,10H,6-7H2,1-5H3,(H,12,14)
InChIKeyLOYZSINIVODRFH-UHFFFAOYSA-N
XLogP0.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate
CID 65442241
methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate
CID 65444222
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate
CID 65475175
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl 2-acetamido-3-(ethoxyamino)propanoate
CID 103254521
methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate
CID 65441858
methyl (2R)-2-acetamido-3-sulfamoylpropanoate
CID 21117273
methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate
CID 103261713
methyl 2-acetamido-3-acetyloxypropanoate
CID 538243
methyl (2R)-2-acetamido-3-methylsulfanylpropanoate
CID 13059384

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate (CID 65441847) is methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate is CCN(CC(NC(C)=O)C(=O)OC)C(C)C.
What is the InChIKey of methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate?
The InChIKey is LOYZSINIVODRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-13(8(2)3)7-10(11(15)16-5)12-9(4)14/h8,10H,6-7H2,1-5H3,(H,12,14).
What are the key properties of methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate?
methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate has a molecular weight of 230.31 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate is sourced from PubChem (CID 65441847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).