4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid

C11H21NO4 — CID 121263526

IUPAC4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid
SMILESCCOC(C)(C)CCNC(=O)CCC(=O)O
InChIInChI=1S/C11H21NO4/c1-4-16-11(2,3)7-8-12-9(13)5-6-10(14)15/h4-8H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyQBVNMLQPQANXLY-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.17
Rot. Bonds8

About 4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid

4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid (PubChem CID 121263526) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid
PubChem CID121263526
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid
SMILESCCOC(C)(C)CCNC(=O)CCC(=O)O
InChIInChI=1S/C11H21NO4/c1-4-16-11(2,3)7-8-12-9(13)5-6-10(14)15/h4-8H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyQBVNMLQPQANXLY-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 114940625
2-[4,7-bis(carboxymethyl)-10-[2-[(3-ethoxy-3-methylbutyl)amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 129273950
N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide
CID 138517805
N-(3-ethoxy-3-methylbutyl)prop-2-enamide
CID 123897679
N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide
CID 146942531
N-[3-(aminomethoxy)-3-methylbutyl]-4-methylpentanamide
CID 138462196
N-(2-ethoxy-2-methylpropyl)butanamide
CID 114944319
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]-4-oxobutanoic acid
CID 10018649
4-butoxy-4-methyl-N-propylpentanamide
CID 156884877
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid (CID 121263526) is 4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid is CCOC(C)(C)CCNC(=O)CCC(=O)O.
What is the InChIKey of 4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid?
The InChIKey is QBVNMLQPQANXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-16-11(2,3)7-8-12-9(13)5-6-10(14)15/h4-8H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid?
4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 121263526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).