4-(dicyclohexylamino)-4-oxobutanoic acid

C16H27NO3 — CID 586586

IUPAC4-(dicyclohexylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H27NO3/c18-15(11-12-16(19)20)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,19,20)
InChIKeyVFNKILUAADEGCH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.35
Rot. Bonds5

About 4-(dicyclohexylamino)-4-oxobutanoic acid

4-(dicyclohexylamino)-4-oxobutanoic acid (PubChem CID 586586) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(dicyclohexylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(dicyclohexylamino)-4-oxobutanoic acid
PubChem CID586586
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-(dicyclohexylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H27NO3/c18-15(11-12-16(19)20)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,19,20)
InChIKeyVFNKILUAADEGCH-UHFFFAOYSA-N
XLogP3.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[Cyclohexyl(methyl)amino]-4-oxobutanoic acid
CID 974695
4-(2,6-Dimethylpiperidin-1-yl)-4-oxo-butyric acid
CID 3102906
Hexanedioic acid biscyclohexylamide
CID 21156363
N,N-Dihexyl-succinamic acid
CID 575037
4-(Dicyclohexylamino)butanoic acid
CID 28942679
4-(Dicyclohexylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 142578779
4-[Cyclohexyl(methyl)amino]-4-oxobutanoate
CID 6993050
4-(Dicyclohexylamino)-4-oxobutanoate
CID 40784781
Succinic acid, monoamide, N,N-dicyclohexyl-, propyl ester
CID 91702037
Succinic acid, monoamide, N,N-dicyclohexyl-, butyl ester
CID 91702038
Succinic acid, monoamide, N,N-dicyclohexyl-, ethyl ester
CID 91713394
4-[(2R,6S)-2,6-Dimethylpiperidin-1-YL]-4-oxobutanoic acid
CID 822867

Frequently Asked Questions

What is the IUPAC name of 4-(dicyclohexylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(dicyclohexylamino)-4-oxobutanoic acid (CID 586586) is 4-(dicyclohexylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(dicyclohexylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(dicyclohexylamino)-4-oxobutanoic acid is O=C(O)CCC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 4-(dicyclohexylamino)-4-oxobutanoic acid?
The InChIKey is VFNKILUAADEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-15(11-12-16(19)20)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,19,20).
What are the key properties of 4-(dicyclohexylamino)-4-oxobutanoic acid?
4-(dicyclohexylamino)-4-oxobutanoic acid has a molecular weight of 281.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dicyclohexylamino)-4-oxobutanoic acid is sourced from PubChem (CID 586586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).