3-[(2-tert-butylcyclohexyl)amino]propanoic acid

C13H25NO2 — CID 43139947

IUPAC3-[(2-tert-butylcyclohexyl)amino]propanoic acid
SMILESCC(C)(C)C1CCCCC1NCCC(=O)O
InChIInChI=1S/C13H25NO2/c1-13(2,3)10-6-4-5-7-11(10)14-9-8-12(15)16/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeySFWVFLFJBIIGFI-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.66
Rot. Bonds4

About 3-[(2-tert-butylcyclohexyl)amino]propanoic acid

3-[(2-tert-butylcyclohexyl)amino]propanoic acid (PubChem CID 43139947) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[(2-tert-butylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-tert-butylcyclohexyl)amino]propanoic acid
PubChem CID43139947
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-[(2-tert-butylcyclohexyl)amino]propanoic acid
SMILESCC(C)(C)C1CCCCC1NCCC(=O)O
InChIInChI=1S/C13H25NO2/c1-13(2,3)10-6-4-5-7-11(10)14-9-8-12(15)16/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeySFWVFLFJBIIGFI-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylcyclohexyl)amino]propanoic acid?
The IUPAC name of 3-[(2-tert-butylcyclohexyl)amino]propanoic acid (CID 43139947) is 3-[(2-tert-butylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-tert-butylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-tert-butylcyclohexyl)amino]propanoic acid is CC(C)(C)C1CCCCC1NCCC(=O)O.
What is the InChIKey of 3-[(2-tert-butylcyclohexyl)amino]propanoic acid?
The InChIKey is SFWVFLFJBIIGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,3)10-6-4-5-7-11(10)14-9-8-12(15)16/h10-11,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-[(2-tert-butylcyclohexyl)amino]propanoic acid?
3-[(2-tert-butylcyclohexyl)amino]propanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 43139947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).