4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid

C11H24N2O2 — CID 64693991

IUPAC4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid
SMILESCC(N(C)C(CCN)C(=O)O)C(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-8(11(2,3)4)13(5)9(6-7-12)10(14)15/h8-9H,6-7,12H2,1-5H3,(H,14,15)
InChIKeyHUYMJCQZWQSVQW-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.15
Rot. Bonds5

About 4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid

4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid (PubChem CID 64693991) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid
PubChem CID64693991
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid
SMILESCC(N(C)C(CCN)C(=O)O)C(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-8(11(2,3)4)13(5)9(6-7-12)10(14)15/h8-9H,6-7,12H2,1-5H3,(H,14,15)
InChIKeyHUYMJCQZWQSVQW-UHFFFAOYSA-N
XLogP1.15
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[cyclopropyl(methyl)amino]butanoic acid
CID 64692953
4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid
CID 64694003
2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide
CID 63584854
3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)
CID 171932253
4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65487917
4-amino-2-methylbutanoic acid
CID 3759025
4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 64693783
3-amino-2-[methyl(pentan-3-yl)amino]propanoic acid
CID 64695623
2-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536977
2-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methylpentanamide
CID 64710434
3-amino-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 167720958
[(2R)-4-aminobutan-2-yl]-tert-butylcarbamic acid
CID 71650806

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid?
The IUPAC name of 4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid (CID 64693991) is 4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid?
The canonical SMILES for 4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid is CC(N(C)C(CCN)C(=O)O)C(C)(C)C.
What is the InChIKey of 4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid?
The InChIKey is HUYMJCQZWQSVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(11(2,3)4)13(5)9(6-7-12)10(14)15/h8-9H,6-7,12H2,1-5H3,(H,14,15).
What are the key properties of 4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid?
4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid has a molecular weight of 216.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid is sourced from PubChem (CID 64693991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).