3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid

C10H18N2O5 — CID 55007638

IUPAC3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCCOC(=O)NC(=O)CN(C)CC(C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-4-17-10(16)11-8(13)6-12(3)5-7(2)9(14)15/h7H,4-6H2,1-3H3,(H,14,15)(H,11,13,16)
InChIKeyNDUKPBFEOVWAJI-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.09
Rot. Bonds6

About 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid

3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid (PubChem CID 55007638) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
PubChem CID55007638
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCCOC(=O)NC(=O)CN(C)CC(C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-4-17-10(16)11-8(13)6-12(3)5-7(2)9(14)15/h7H,4-6H2,1-3H3,(H,14,15)(H,11,13,16)
InChIKeyNDUKPBFEOVWAJI-UHFFFAOYSA-N
XLogP-0.09
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate
CID 115665851
4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55005595
2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 55007733
methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate
CID 62335232
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate
CID 115758309
2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid
CID 55007746
2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid
CID 122120087
ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate
CID 62013338
3-[(4-ethoxycarbonylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 107877476
3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid
CID 63933197
ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9036414

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid (CID 55007638) is 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid is CCOC(=O)NC(=O)CN(C)CC(C)C(=O)O.
What is the InChIKey of 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is NDUKPBFEOVWAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-4-17-10(16)11-8(13)6-12(3)5-7(2)9(14)15/h7H,4-6H2,1-3H3,(H,14,15)(H,11,13,16).
What are the key properties of 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55007638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).