2-(ethylamino)-3,3-dimethylbutanoic acid

C8H17NO2 — CID 61326414

IUPAC2-(ethylamino)-3,3-dimethylbutanoic acid
SMILESCCNC(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H17NO2/c1-5-9-6(7(10)11)8(2,3)4/h6,9H,5H2,1-4H3,(H,10,11)
InChIKeyJYIIAHBYMFAATC-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.10
Rot. Bonds3

About 2-(ethylamino)-3,3-dimethylbutanoic acid

2-(ethylamino)-3,3-dimethylbutanoic acid (PubChem CID 61326414) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(ethylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-3,3-dimethylbutanoic acid
PubChem CID61326414
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(ethylamino)-3,3-dimethylbutanoic acid
SMILESCCNC(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H17NO2/c1-5-9-6(7(10)11)8(2,3)4/h6,9H,5H2,1-4H3,(H,10,11)
InChIKeyJYIIAHBYMFAATC-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanoethyl)valine
CID 11665476
N-Methyl-L-valine
CID 444080
N-Methylvaline
CID 4378
2-Hydroxyethylvaline
CID 107912
(2R)-2-acetamido-3,3-dimethylbutanoic acid
CID 11206053
(2S)-2-acetamido-3,3-dimethylbutanoic acid
CID 11469346
(2S)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 22885074
N-(3,3-Dimethylbutyl)-L-aspartic acid
CID 9815811
N-Methyl-D-valine
CID 6951143
N-Ethyl-L-valine
CID 10729971
Edba
CID 164632
N-(carboxymethyl)valine
CID 558642

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(ethylamino)-3,3-dimethylbutanoic acid (CID 61326414) is 2-(ethylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(ethylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(ethylamino)-3,3-dimethylbutanoic acid is CCNC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-(ethylamino)-3,3-dimethylbutanoic acid?
The InChIKey is JYIIAHBYMFAATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-9-6(7(10)11)8(2,3)4/h6,9H,5H2,1-4H3,(H,10,11).
What are the key properties of 2-(ethylamino)-3,3-dimethylbutanoic acid?
2-(ethylamino)-3,3-dimethylbutanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 61326414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).