2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid

C14H27NO3 — CID 43437635

IUPAC2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid
SMILESCCN(CC(C)C)C(=O)CC(CC)(CC)C(=O)O
InChIInChI=1S/C14H27NO3/c1-6-14(7-2,13(17)18)9-12(16)15(8-3)10-11(4)5/h11H,6-10H2,1-5H3,(H,17,18)
InChIKeyFFVNAPBFIVXPEX-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.77
Rot. Bonds8

About 2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid

2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid (PubChem CID 43437635) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid
PubChem CID43437635
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid
SMILESCCN(CC(C)C)C(=O)CC(CC)(CC)C(=O)O
InChIInChI=1S/C14H27NO3/c1-6-14(7-2,13(17)18)9-12(16)15(8-3)10-11(4)5/h11H,6-10H2,1-5H3,(H,17,18)
InChIKeyFFVNAPBFIVXPEX-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-cyanoethyl(2-methylpropyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 60950314
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595
2,2-diethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutanoic acid
CID 104551496
2,2-diethyl-4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoic acid
CID 43578399
2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid
CID 60948695
4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 54875034
4-[1-cyanopropan-2-yl(methyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 63223026
3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide
CID 18736157
2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid
CID 107871178
2-[ethyl(2-methylpropyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536720
2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid
CID 115431036
azane;2,2-diethylbutanoic acid
CID 173369262

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid (CID 43437635) is 2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid is CCN(CC(C)C)C(=O)CC(CC)(CC)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid?
The InChIKey is FFVNAPBFIVXPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-6-14(7-2,13(17)18)9-12(16)15(8-3)10-11(4)5/h11H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid?
2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 43437635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).