2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid

C15H29NO2 — CID 65067690

IUPAC2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-6-13(14(17)18)16(5)12-9-7-11(8-10-12)15(2,3)4/h11-13H,6-10H2,1-5H3,(H,17,18)
InChIKeyKUXIRFDHDRTOBS-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.39
Rot. Bonds4

About 2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid

2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid (PubChem CID 65067690) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid
PubChem CID65067690
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-6-13(14(17)18)16(5)12-9-7-11(8-10-12)15(2,3)4/h11-13H,6-10H2,1-5H3,(H,17,18)
InChIKeyKUXIRFDHDRTOBS-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(oxepan-4-yl)amino]butanoic acid
CID 65080725
4-amino-2-[cyclopropyl(methyl)amino]butanoic acid
CID 64692953
2-[cyclopropyl(methyl)amino]butanehydrazide
CID 63573257
2-[(2,2-dimethylcyclohexyl)-methylamino]butanoic acid
CID 79852345
2-[methyl-(2-propyloxan-4-yl)amino]butanoic acid
CID 65068044
(2S)-2-[cyclopropyl(methyl)amino]-3-phenylpropanoic acid
CID 175818563
(2S)-3-hydroxy-2-[methyl(piperidin-4-yl)amino]propanoic acid
CID 121482131
2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid
CID 79893899
2-[butyl(cyclopropyl)amino]butanoic acid
CID 61441768
2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid
CID 65095103
(2R)-2-[cyclopropyl(thian-4-yl)amino]butanoic acid
CID 129495494
2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid
CID 103224494

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid?
The IUPAC name of 2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid (CID 65067690) is 2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid.
What is the SMILES notation for 2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid?
The canonical SMILES for 2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid is CCC(C(=O)O)N(C)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid?
The InChIKey is KUXIRFDHDRTOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-13(14(17)18)16(5)12-9-7-11(8-10-12)15(2,3)4/h11-13H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid?
2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid is sourced from PubChem (CID 65067690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).