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

C12H23NO4 — CID 65302026

IUPAC4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN(C(=O)CC(C)(C)C(=O)O)C(C)COC
InChIInChI=1S/C12H23NO4/c1-6-13(9(2)8-17-5)10(14)7-12(3,4)11(15)16/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyCUKAYESYSYRLDA-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.37
Rot. Bonds7

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

4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65302026) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65302026
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN(C(=O)CC(C)(C)C(=O)O)C(C)COC
InChIInChI=1S/C12H23NO4/c1-6-13(9(2)8-17-5)10(14)7-12(3,4)11(15)16/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyCUKAYESYSYRLDA-UHFFFAOYSA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 4777965
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302183
4-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 107478968
4-[Bis(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 43399812
Ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate
CID 43573775
2,2-Dimethyl-4-oxo-4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)butanoic acid
CID 57209681
4-[Cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 58376707
Ethyl 4-[tert-butyl(2-hydroxyethyl)amino]-4-oxobutanoate
CID 90377649
4-[Bis[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-4-oxobutanoic acid
CID 144757022
4-[[(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 150462330
4-[Bis(2-propoxyethyl)amino]-4-oxobutanoic acid
CID 157105039
1-(1-Methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen
CID 159135385

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65302026) is 4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid is CCN(C(=O)CC(C)(C)C(=O)O)C(C)COC.
What is the InChIKey of 4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is CUKAYESYSYRLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-6-13(9(2)8-17-5)10(14)7-12(3,4)11(15)16/h9H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.37, 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]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65302026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).