4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid

C13H23NO4 — CID 82330575

IUPAC4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
SMILESO=C(O)CCCN(CCC(=O)O)C1CCCCC1
InChIInChI=1S/C13H23NO4/c15-12(16)7-4-9-14(10-8-13(17)18)11-5-2-1-3-6-11/h11H,1-10H2,(H,15,16)(H,17,18)
InChIKeyFVYICFWGLDEQCY-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.96
Rot. Bonds8

About 4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid

4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid (PubChem CID 82330575) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
PubChem CID82330575
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
SMILESO=C(O)CCCN(CCC(=O)O)C1CCCCC1
InChIInChI=1S/C13H23NO4/c15-12(16)7-4-9-14(10-8-13(17)18)11-5-2-1-3-6-11/h11H,1-10H2,(H,15,16)(H,17,18)
InChIKeyFVYICFWGLDEQCY-UHFFFAOYSA-N
XLogP1.96
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330378
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
5-[cyclobutyl(2-hydroxyethyl)amino]pentanoic acid
CID 102863962
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid
CID 82330624
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
3-[cyanomethyl(cycloheptyl)amino]propanoic acid
CID 82328498
3-[cyclohexyl(prop-2-enyl)amino]propanoic acid
CID 82327969
5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid
CID 54988943
4-[(carboxymethylamino)-cyclohexylamino]butanoic acid
CID 22042025

Frequently Asked Questions

What is the IUPAC name of 4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid?
The IUPAC name of 4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid (CID 82330575) is 4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid.
What is the SMILES notation for 4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid?
The canonical SMILES for 4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid is O=C(O)CCCN(CCC(=O)O)C1CCCCC1.
What is the InChIKey of 4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid?
The InChIKey is FVYICFWGLDEQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c15-12(16)7-4-9-14(10-8-13(17)18)11-5-2-1-3-6-11/h11H,1-10H2,(H,15,16)(H,17,18).
What are the key properties of 4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid?
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid is sourced from PubChem (CID 82330575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).