6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid

C12H21NO4 — CID 54867773

IUPAC6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H21NO4/c14-10-7-5-9(6-8-10)13-11(15)3-1-2-4-12(16)17/h9-10,14H,1-8H2,(H,13,15)(H,16,17)
InChIKeyZKVKRAWAWINTRL-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.05
Rot. Bonds6

About 6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid

6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid (PubChem CID 54867773) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid
PubChem CID54867773
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H21NO4/c14-10-7-5-9(6-8-10)13-11(15)3-1-2-4-12(16)17/h9-10,14H,1-8H2,(H,13,15)(H,16,17)
InChIKeyZKVKRAWAWINTRL-UHFFFAOYSA-N
XLogP1.05
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
N,N'-dicyclopropyldecanediamide
CID 4668836
6-[(4-methylsulfanylcyclohexyl)amino]-6-oxohexanoic acid
CID 114122613
N,N'-dicyclopropylbutanediamide
CID 5225156
6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 54868296
4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid
CID 43329797
N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 43394652
5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
CID 54962890
4-chloro-N-cyclopropylbutanamide
CID 5152347
dodecanoic acid;4-(dodecanoylamino)cyclohexane-1-carboxamide
CID 70017532
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
CID 43473310

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid (CID 54867773) is 6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid is O=C(O)CCCCC(=O)NC1CCC(O)CC1.
What is the InChIKey of 6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid?
The InChIKey is ZKVKRAWAWINTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c14-10-7-5-9(6-8-10)13-11(15)3-1-2-4-12(16)17/h9-10,14H,1-8H2,(H,13,15)(H,16,17).
What are the key properties of 6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid?
6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 54867773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).