4-amino-3-(4-tert-butylcyclohexyl)butanoic acid

C14H27NO2 — CID 104576095

IUPAC4-amino-3-(4-tert-butylcyclohexyl)butanoic acid
SMILESCC(C)(C)C1CCC(C(CN)CC(=O)O)CC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)12-6-4-10(5-7-12)11(9-15)8-13(16)17/h10-12H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyKOEHBFGKQVMDCQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds4

About 4-amino-3-(4-tert-butylcyclohexyl)butanoic acid

4-amino-3-(4-tert-butylcyclohexyl)butanoic acid (PubChem CID 104576095) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-amino-3-(4-tert-butylcyclohexyl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(4-tert-butylcyclohexyl)butanoic acid
PubChem CID104576095
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-amino-3-(4-tert-butylcyclohexyl)butanoic acid
SMILESCC(C)(C)C1CCC(C(CN)CC(=O)O)CC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)12-6-4-10(5-7-12)11(9-15)8-13(16)17/h10-12H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyKOEHBFGKQVMDCQ-UHFFFAOYSA-N
XLogP2.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid
CID 104941123
4-amino-3-cyclopentylbutanoic acid
CID 10130168
(3R)-4-amino-3-cyclohexylbutanoic acid
CID 8000611
5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol
CID 113428622
3-(4-tert-butylcyclohexyl)-4,4,4-trifluorobutanoic acid
CID 104575942
2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 65185190
3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide
CID 104576070
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
3-(4-tert-butylpiperidin-1-yl)pentanoic acid
CID 63067950
3-(4-tert-butylcyclohexyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104575616
N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 63755182
2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid
CID 104575539

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-tert-butylcyclohexyl)butanoic acid?
The IUPAC name of 4-amino-3-(4-tert-butylcyclohexyl)butanoic acid (CID 104576095) is 4-amino-3-(4-tert-butylcyclohexyl)butanoic acid.
What is the SMILES notation for 4-amino-3-(4-tert-butylcyclohexyl)butanoic acid?
The canonical SMILES for 4-amino-3-(4-tert-butylcyclohexyl)butanoic acid is CC(C)(C)C1CCC(C(CN)CC(=O)O)CC1.
What is the InChIKey of 4-amino-3-(4-tert-butylcyclohexyl)butanoic acid?
The InChIKey is KOEHBFGKQVMDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,3)12-6-4-10(5-7-12)11(9-15)8-13(16)17/h10-12H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-3-(4-tert-butylcyclohexyl)butanoic acid?
4-amino-3-(4-tert-butylcyclohexyl)butanoic acid has a molecular weight of 241.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-tert-butylcyclohexyl)butanoic acid is sourced from PubChem (CID 104576095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).