2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid

C13H28N2O4 — CID 157400668

IUPAC2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid
SMILESCCC(C)(N)C(=O)O.CCN(CC)C(C)(C)C(=O)O
InChIInChI=1S/C8H17NO2.C5H11NO2/c1-5-9(6-2)8(3,4)7(10)11;1-3-5(2,6)4(7)8/h5-6H2,1-4H3,(H,10,11);3,6H2,1-2H3,(H,7,8)
InChIKeyBNCRYUQMXQXSMZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.39
Rot. Bonds6

About 2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid

2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid (PubChem CID 157400668) has the molecular formula C13H28N2O4 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid
PubChem CID157400668
Molecular FormulaC13H28N2O4
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid
SMILESCCC(C)(N)C(=O)O.CCN(CC)C(C)(C)C(=O)O
InChIInChI=1S/C8H17NO2.C5H11NO2/c1-5-9(6-2)8(3,4)7(10)11;1-3-5(2,6)4(7)8/h5-6H2,1-4H3,(H,10,11);3,6H2,1-2H3,(H,7,8)
InChIKeyBNCRYUQMXQXSMZ-UHFFFAOYSA-N
XLogP1.39
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid
CID 79811560
(2S)-2-amino-2-methylbutanoic acid;sulfuric acid
CID 175752113
2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid
CID 63652155
2-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061531
2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid
CID 62820146
2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid
CID 79355288
2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid
CID 61438417
2-(diethylamino)-2-methylbutanoic acid
CID 43803567
2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
CID 62821128
2-(15N)azanyl-2-methylbutanamide
CID 10844374
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62821021

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid?
The IUPAC name of 2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid (CID 157400668) is 2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid is CCC(C)(N)C(=O)O.CCN(CC)C(C)(C)C(=O)O.
What is the InChIKey of 2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid?
The InChIKey is BNCRYUQMXQXSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C5H11NO2/c1-5-9(6-2)8(3,4)7(10)11;1-3-5(2,6)4(7)8/h5-6H2,1-4H3,(H,10,11);3,6H2,1-2H3,(H,7,8).
What are the key properties of 2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid?
2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid has a molecular weight of 276.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 157400668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).