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

C15H25NO5 — CID 82326113

IUPAC4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid
SMILESO=C(O)CCCN(CCC(=O)O)C(=O)CC1CCCCC1
InChIInChI=1S/C15H25NO5/c17-13(11-12-5-2-1-3-6-12)16(10-8-15(20)21)9-4-7-14(18)19/h12H,1-11H2,(H,18,19)(H,20,21)
InChIKeyZRIULBWBCQFNBB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.12
Rot. Bonds9

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

4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid (PubChem CID 82326113) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid
PubChem CID82326113
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid
SMILESO=C(O)CCCN(CCC(=O)O)C(=O)CC1CCCCC1
InChIInChI=1S/C15H25NO5/c17-13(11-12-5-2-1-3-6-12)16(10-8-15(20)21)9-4-7-14(18)19/h12H,1-11H2,(H,18,19)(H,20,21)
InChIKeyZRIULBWBCQFNBB-UHFFFAOYSA-N
XLogP2.12
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid
CID 82326091
3-[(2-cycloheptylacetyl)-methylamino]propanoic acid
CID 115736297
3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid
CID 82326104
N,N-dibutyl-2-cyclopentylacetamide
CID 13315634
N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide
CID 114456956
2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide
CID 10314256
4-(cyclohexylmethylamino)butanoic acid
CID 24705289
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
3-[(2-cyclopentylacetyl)-(oxan-4-yl)amino]propanoic acid
CID 119212280
CID 131865884
CID 131865884
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
7-cyclohexylheptanoic acid
CID 71560336

Frequently Asked Questions

What is the IUPAC name of 4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid?
The IUPAC name of 4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid (CID 82326113) is 4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid.
What is the SMILES notation for 4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid?
The canonical SMILES for 4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid is O=C(O)CCCN(CCC(=O)O)C(=O)CC1CCCCC1.
What is the InChIKey of 4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid?
The InChIKey is ZRIULBWBCQFNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c17-13(11-12-5-2-1-3-6-12)16(10-8-15(20)21)9-4-7-14(18)19/h12H,1-11H2,(H,18,19)(H,20,21).
What are the key properties of 4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid?
4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid has a molecular weight of 299.37 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid is sourced from PubChem (CID 82326113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).