2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid

C12H24N2O4 — CID 62820250

IUPAC2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)NC(C)COC)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-6-14(12(3,4)11(16)17)7-10(15)13-9(2)8-18-5/h9H,6-8H2,1-5H3,(H,13,15)(H,16,17)
InChIKeySPHFNKZMRZSPJG-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.32
Rot. Bonds8

About 2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid (PubChem CID 62820250) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
PubChem CID62820250
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)NC(C)COC)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-6-14(12(3,4)11(16)17)7-10(15)13-9(2)8-18-5/h9H,6-8H2,1-5H3,(H,13,15)(H,16,17)
InChIKeySPHFNKZMRZSPJG-UHFFFAOYSA-N
XLogP0.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 62007770
2-[ethyl(3-hydroxypropyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 115666206
3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60835046
2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 62010198
2-[2-aminoethyl(pentan-3-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 63764416
(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide
CID 97019330
2-[2-hydroxyethyl(methyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 60683894
2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid
CID 62820145
methyl 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]propanoate
CID 62011672
N-(1-methoxypropan-2-yl)-2-[(2-methylpropan-2-yl)oxyamino]acetamide
CID 82723999
2-(3,3-dimethylbutan-2-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115627480
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 63760493

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid (CID 62820250) is 2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid is CCN(CC(=O)NC(C)COC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The InChIKey is SPHFNKZMRZSPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-6-14(12(3,4)11(16)17)7-10(15)13-9(2)8-18-5/h9H,6-8H2,1-5H3,(H,13,15)(H,16,17).
What are the key properties of 2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid has a molecular weight of 260.33 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62820250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).