2-butyl-2-formamidohexanoic acid

C11H21NO3 — CID 121217700

IUPAC2-butyl-2-formamidohexanoic acid
SMILESCCCCC(CCCC)(NC=O)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-5-7-11(10(14)15,12-9-13)8-6-4-2/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyJMKYVQTWJJMICU-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.94
Rot. Bonds9

About 2-butyl-2-formamidohexanoic acid

2-butyl-2-formamidohexanoic acid (PubChem CID 121217700) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-butyl-2-formamidohexanoic acid.

Molecular Properties

Compound Name2-butyl-2-formamidohexanoic acid
PubChem CID121217700
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-butyl-2-formamidohexanoic acid
SMILESCCCCC(CCCC)(NC=O)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-5-7-11(10(14)15,12-9-13)8-6-4-2/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyJMKYVQTWJJMICU-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-formamidobutanoic acid
CID 63689307
2-(nonylamino)-2-(2-oxoethyl)hexanoic acid
CID 170325808
2-formamido-2-methylpentanoic acid
CID 61145661
N-(5-formylnonan-5-yl)formamide
CID 173139788
pentane-1,1,1-tricarboxylic acid
CID 19386814
2-butyl-2-methylhexanoic acid
CID 15930803
2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide
CID 173317820
2-butyl-2-chlorohexanoic acid
CID 178066863
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
2-ethyl-2-[formyl(methyl)amino]hexanoic acid
CID 63950848
2,2-diethylhexanoic acid;nickel
CID 174321081
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-formamidohexanoic acid?
The IUPAC name of 2-butyl-2-formamidohexanoic acid (CID 121217700) is 2-butyl-2-formamidohexanoic acid.
What is the SMILES notation for 2-butyl-2-formamidohexanoic acid?
The canonical SMILES for 2-butyl-2-formamidohexanoic acid is CCCCC(CCCC)(NC=O)C(=O)O.
What is the InChIKey of 2-butyl-2-formamidohexanoic acid?
The InChIKey is JMKYVQTWJJMICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-5-7-11(10(14)15,12-9-13)8-6-4-2/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-butyl-2-formamidohexanoic acid?
2-butyl-2-formamidohexanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-formamidohexanoic acid is sourced from PubChem (CID 121217700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).