4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid

C10H19NO3 — CID 146513899

IUPAC4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid
SMILESCCN(C(=O)CCC(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-11(10(2,3)4)8(12)6-7-9(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyAXANRDZAKCIDDX-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.50
Rot. Bonds4

About 4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid

4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid (PubChem CID 146513899) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid
PubChem CID146513899
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid
SMILESCCN(C(=O)CCC(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-11(10(2,3)4)8(12)6-7-9(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyAXANRDZAKCIDDX-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-[tert-butyl(ethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid (CID 146513899) is 4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid is CCN(C(=O)CCC(=O)O)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid?
The InChIKey is AXANRDZAKCIDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-11(10(2,3)4)8(12)6-7-9(13)14/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid?
4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(ethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 146513899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).