6-(tert-butylamino)-2-methylidenehexanoic acid

C11H21NO2 — CID 23505129

IUPAC6-(tert-butylamino)-2-methylidenehexanoic acid
SMILESC=C(CCCCNC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-9(10(13)14)7-5-6-8-12-11(2,3)4/h12H,1,5-8H2,2-4H3,(H,13,14)
InChIKeyJGVXLAQFUBXHGU-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.19
Rot. Bonds6

About 6-(tert-butylamino)-2-methylidenehexanoic acid

6-(tert-butylamino)-2-methylidenehexanoic acid (PubChem CID 23505129) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 6-(tert-butylamino)-2-methylidenehexanoic acid.

Molecular Properties

Compound Name6-(tert-butylamino)-2-methylidenehexanoic acid
PubChem CID23505129
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name6-(tert-butylamino)-2-methylidenehexanoic acid
SMILESC=C(CCCCNC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-9(10(13)14)7-5-6-8-12-11(2,3)4/h12H,1,5-8H2,2-4H3,(H,13,14)
InChIKeyJGVXLAQFUBXHGU-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-2-methylidenehexanoic acid?
The IUPAC name of 6-(tert-butylamino)-2-methylidenehexanoic acid (CID 23505129) is 6-(tert-butylamino)-2-methylidenehexanoic acid.
What is the SMILES notation for 6-(tert-butylamino)-2-methylidenehexanoic acid?
The canonical SMILES for 6-(tert-butylamino)-2-methylidenehexanoic acid is C=C(CCCCNC(C)(C)C)C(=O)O.
What is the InChIKey of 6-(tert-butylamino)-2-methylidenehexanoic acid?
The InChIKey is JGVXLAQFUBXHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(10(13)14)7-5-6-8-12-11(2,3)4/h12H,1,5-8H2,2-4H3,(H,13,14).
What are the key properties of 6-(tert-butylamino)-2-methylidenehexanoic acid?
6-(tert-butylamino)-2-methylidenehexanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-2-methylidenehexanoic acid is sourced from PubChem (CID 23505129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).