4-[cyclohexyl(ethyl)amino]butanoic acid

C12H23NO2 — CID 20985425

IUPAC4-[cyclohexyl(ethyl)amino]butanoic acid
SMILESCCN(CCCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-13(10-6-9-12(14)15)11-7-4-3-5-8-11/h11H,2-10H2,1H3,(H,14,15)
InChIKeyXTDHYUZIAOEERL-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.51
Rot. Bonds6

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

4-[cyclohexyl(ethyl)amino]butanoic acid (PubChem CID 20985425) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)amino]butanoic acid
PubChem CID20985425
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[cyclohexyl(ethyl)amino]butanoic acid
SMILESCCN(CCCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-13(10-6-9-12(14)15)11-7-4-3-5-8-11/h11H,2-10H2,1H3,(H,14,15)
InChIKeyXTDHYUZIAOEERL-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Butyric acid, 4-piperidino-
CID 20794
4-(Trimethylammonio)pentanoic Acid
CID 73167559
Butanedioic acid, compd. with N,N-diethylcyclohexanamine (1:1)
CID 109889
4-(2-Methylpiperidin-1-yl)pentanoic acid--hydrogen chloride (1/1)
CID 113719
4-[Cyclohexyl(methyl)amino]-4-oxobutanoic acid
CID 974695
3-(Cyclohexyl(methyl)amino)propanoic acid hydrochloride
CID 75481142
4-(Methyl(propan-2-yl)amino)butanoic acid hydrochloride
CID 165675460
4-(Isopropyl(methyl)amino)butanoic acid
CID 21027685
4-(Dicyclohexylamino)butanoic acid
CID 28942679
4-(2-Methylpiperidin-1-yl)pentanoic acid
CID 113720
4-[Methyl(octyl)amino]butanoic acid
CID 61601385
4-[Decyl(methyl)amino]butanoic acid
CID 62222760

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)amino]butanoic acid?
The IUPAC name of 4-[cyclohexyl(ethyl)amino]butanoic acid (CID 20985425) is 4-[cyclohexyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 4-[cyclohexyl(ethyl)amino]butanoic acid?
The canonical SMILES for 4-[cyclohexyl(ethyl)amino]butanoic acid is CCN(CCCC(=O)O)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(ethyl)amino]butanoic acid?
The InChIKey is XTDHYUZIAOEERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-13(10-6-9-12(14)15)11-7-4-3-5-8-11/h11H,2-10H2,1H3,(H,14,15).
What are the key properties of 4-[cyclohexyl(ethyl)amino]butanoic acid?
4-[cyclohexyl(ethyl)amino]butanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 20985425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).