4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid

C10H19NO4 — CID 60949028

IUPAC4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid
SMILESCCN(C(=O)CCC(=O)O)C(C)COC
InChIInChI=1S/C10H19NO4/c1-4-11(8(2)7-15-3)9(12)5-6-10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyPJAOQHSKERHSED-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.73
Rot. Bonds7

About 4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid

4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid (PubChem CID 60949028) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid
PubChem CID60949028
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid
SMILESCCN(C(=O)CCC(=O)O)C(C)COC
InChIInChI=1S/C10H19NO4/c1-4-11(8(2)7-15-3)9(12)5-6-10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyPJAOQHSKERHSED-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(1-methoxypropan-2-yl)-3-piperidin-4-yloxypropanamide
CID 63876854
5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid
CID 60949459
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63066155
2-(4-aminocyclohexyl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide
CID 62781925
3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide
CID 55009959
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55009512
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 62965265
3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668669
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
2-amino-N,2-diethyl-N-(1-methoxypropan-2-yl)butanamide
CID 79813178
2-(2-aminocyclohexyl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide
CID 62781924
5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide
CID 107909884

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid (CID 60949028) is 4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid is CCN(C(=O)CCC(=O)O)C(C)COC.
What is the InChIKey of 4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid?
The InChIKey is PJAOQHSKERHSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-11(8(2)7-15-3)9(12)5-6-10(13)14/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid?
4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 60949028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).