2-(diethylamino)-2-methylbutanoic acid

C9H19NO2 — CID 43803567

IUPAC2-(diethylamino)-2-methylbutanoic acid
SMILESCCN(CC)C(C)(CC)C(=O)O
InChIInChI=1S/C9H19NO2/c1-5-9(4,8(11)12)10(6-2)7-3/h5-7H2,1-4H3,(H,11,12)
InChIKeyGWXPPCVQKVYDOX-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.58
Rot. Bonds5

About 2-(diethylamino)-2-methylbutanoic acid

2-(diethylamino)-2-methylbutanoic acid (PubChem CID 43803567) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(diethylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-2-methylbutanoic acid
PubChem CID43803567
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-(diethylamino)-2-methylbutanoic acid
SMILESCCN(CC)C(C)(CC)C(=O)O
InChIInChI=1S/C9H19NO2/c1-5-9(4,8(11)12)10(6-2)7-3/h5-7H2,1-4H3,(H,11,12)
InChIKeyGWXPPCVQKVYDOX-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dipropylamino)-2-methylbutanoic acid
CID 78969481
2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
CID 88755093
CID 175912914
CID 175912914
4-(diethylamino)-2,4-dimethylhexan-3-one
CID 79063676
3-(diethylamino)-2,2,3-trimethylbutanoic acid
CID 79695117
2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid
CID 114996785
2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid
CID 157400668
2-[butyl(methyl)amino]-2-methylbutanoic acid
CID 114988987
2-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061531
2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid
CID 84752460
2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115000283
2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid
CID 114999200

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methylbutanoic acid?
The IUPAC name of 2-(diethylamino)-2-methylbutanoic acid (CID 43803567) is 2-(diethylamino)-2-methylbutanoic acid.
What is the SMILES notation for 2-(diethylamino)-2-methylbutanoic acid?
The canonical SMILES for 2-(diethylamino)-2-methylbutanoic acid is CCN(CC)C(C)(CC)C(=O)O.
What is the InChIKey of 2-(diethylamino)-2-methylbutanoic acid?
The InChIKey is GWXPPCVQKVYDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-9(4,8(11)12)10(6-2)7-3/h5-7H2,1-4H3,(H,11,12).
What are the key properties of 2-(diethylamino)-2-methylbutanoic acid?
2-(diethylamino)-2-methylbutanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methylbutanoic acid is sourced from PubChem (CID 43803567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).