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

C10H19NO3 — CID 43274268

IUPAC4-[butan-2-yl(ethyl)amino]-4-oxobutanoic acid
SMILESCCC(C)N(CC)C(=O)CCC(=O)O
InChIInChI=1S/C10H19NO3/c1-4-8(3)11(5-2)9(12)6-7-10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyMXJWVUVZNVCEDI-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.50
Rot. Bonds6

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

4-[butan-2-yl(ethyl)amino]-4-oxobutanoic acid (PubChem CID 43274268) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[butan-2-yl(ethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[butan-2-yl(ethyl)amino]-4-oxobutanoic acid
PubChem CID43274268
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-[butan-2-yl(ethyl)amino]-4-oxobutanoic acid
SMILESCCC(C)N(CC)C(=O)CCC(=O)O
InChIInChI=1S/C10H19NO3/c1-4-8(3)11(5-2)9(12)6-7-10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyMXJWVUVZNVCEDI-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(ethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[butan-2-yl(ethyl)amino]-4-oxobutanoic acid (CID 43274268) is 4-[butan-2-yl(ethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[butan-2-yl(ethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[butan-2-yl(ethyl)amino]-4-oxobutanoic acid is CCC(C)N(CC)C(=O)CCC(=O)O.
What is the InChIKey of 4-[butan-2-yl(ethyl)amino]-4-oxobutanoic acid?
The InChIKey is MXJWVUVZNVCEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-8(3)11(5-2)9(12)6-7-10(13)14/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-[butan-2-yl(ethyl)amino]-4-oxobutanoic acid?
4-[butan-2-yl(ethyl)amino]-4-oxobutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(ethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 43274268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).