2-ethyl-2-[formyl(methyl)amino]hexanoic acid

C10H19NO3 — CID 63950848

IUPAC2-ethyl-2-[formyl(methyl)amino]hexanoic acid
SMILESCCCCC(CC)(C(=O)O)N(C)C=O
InChIInChI=1S/C10H19NO3/c1-4-6-7-10(5-2,9(13)14)11(3)8-12/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyAJOYLHWDHMSNCS-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.50
Rot. Bonds7

About 2-ethyl-2-[formyl(methyl)amino]hexanoic acid

2-ethyl-2-[formyl(methyl)amino]hexanoic acid (PubChem CID 63950848) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-ethyl-2-[formyl(methyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[formyl(methyl)amino]hexanoic acid
PubChem CID63950848
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-ethyl-2-[formyl(methyl)amino]hexanoic acid
SMILESCCCCC(CC)(C(=O)O)N(C)C=O
InChIInChI=1S/C10H19NO3/c1-4-6-7-10(5-2,9(13)14)11(3)8-12/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyAJOYLHWDHMSNCS-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-2-octadecylicosanoic acid
CID 141120188
pentane-1,1,1-tricarboxylic acid
CID 19386814
2,2-diethylhexanoic acid;indigane
CID 175172164
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694
2,2-diethylhexanoic acid;nickel
CID 174321081
2-ethyl-2-hydroxyhexanoic acid
CID 20700530
CID 87969329
CID 87969329
2-butyl-2-methylhexanoic acid
CID 15930803
2-[butyl(methyl)amino]-2-methylbutanoic acid
CID 114988987
2-butyl-2-formamidohexanoic acid
CID 121217700
methyl 2-butyl-2-(dimethylamino)hexanoate
CID 598500
2-ethyl-2-iodohexanoic acid
CID 87787104

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[formyl(methyl)amino]hexanoic acid?
The IUPAC name of 2-ethyl-2-[formyl(methyl)amino]hexanoic acid (CID 63950848) is 2-ethyl-2-[formyl(methyl)amino]hexanoic acid.
What is the SMILES notation for 2-ethyl-2-[formyl(methyl)amino]hexanoic acid?
The canonical SMILES for 2-ethyl-2-[formyl(methyl)amino]hexanoic acid is CCCCC(CC)(C(=O)O)N(C)C=O.
What is the InChIKey of 2-ethyl-2-[formyl(methyl)amino]hexanoic acid?
The InChIKey is AJOYLHWDHMSNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-6-7-10(5-2,9(13)14)11(3)8-12/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-ethyl-2-[formyl(methyl)amino]hexanoic acid?
2-ethyl-2-[formyl(methyl)amino]hexanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[formyl(methyl)amino]hexanoic acid is sourced from PubChem (CID 63950848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).