4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid

C12H21NO3 — CID 16783249

IUPAC4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid
SMILESCCN(C(=O)CCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H21NO3/c1-2-13(10-6-4-3-5-7-10)11(14)8-9-12(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyULGPANMORLCPOK-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.03
Rot. Bonds5

About 4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid

4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid (PubChem CID 16783249) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid
PubChem CID16783249
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid
SMILESCCN(C(=O)CCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H21NO3/c1-2-13(10-6-4-3-5-7-10)11(14)8-9-12(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyULGPANMORLCPOK-UHFFFAOYSA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid (CID 16783249) is 4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid is CCN(C(=O)CCC(=O)O)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid?
The InChIKey is ULGPANMORLCPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-13(10-6-4-3-5-7-10)11(14)8-9-12(15)16/h10H,2-9H2,1H3,(H,15,16).
What are the key properties of 4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid?
4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid has a molecular weight of 227.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 16783249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).