3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid

C15H27NO3 — CID 43240660

IUPAC3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-10(9-13(17)18)16-14(19)11-5-7-12(8-6-11)15(2,3)4/h10-12H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyWBULCEMYFMNZGR-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.82
Rot. Bonds4

About 3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid

3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid (PubChem CID 43240660) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid
PubChem CID43240660
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-10(9-13(17)18)16-14(19)11-5-7-12(8-6-11)15(2,3)4/h10-12H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyWBULCEMYFMNZGR-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid?
The IUPAC name of 3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid (CID 43240660) is 3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid?
The InChIKey is WBULCEMYFMNZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10(9-13(17)18)16-14(19)11-5-7-12(8-6-11)15(2,3)4/h10-12H,5-9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid?
3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylcyclohexanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 43240660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).