2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid

C10H22N2O2 — CID 63053244

IUPAC2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
SMILESCN(CCC(N)C(=O)O)CC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,3)7-12(4)6-5-8(11)9(13)14/h8H,5-7,11H2,1-4H3,(H,13,14)
InChIKeyMUCZWBHLYYUHBX-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.77
Rot. Bonds5

About 2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid

2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid (PubChem CID 63053244) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
PubChem CID63053244
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
SMILESCN(CCC(N)C(=O)O)CC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,3)7-12(4)6-5-8(11)9(13)14/h8H,5-7,11H2,1-4H3,(H,13,14)
InChIKeyMUCZWBHLYYUHBX-UHFFFAOYSA-N
XLogP0.77
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid
CID 63028227
2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 63211113
4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide
CID 63055540
2-amino-4-[methyl-[(4-methylphenyl)methyl]amino]butanoic acid
CID 115241256
2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid
CID 63030187
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate
CID 63053351
(2S)-2,5,5-triaminohexanoic acid
CID 178040033
(2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid
CID 88580674
4-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
CID 63583890
(2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol
CID 23619747

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid (CID 63053244) is 2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid is CN(CCC(N)C(=O)O)CC(C)(C)C.
What is the InChIKey of 2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid?
The InChIKey is MUCZWBHLYYUHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)7-12(4)6-5-8(11)9(13)14/h8H,5-7,11H2,1-4H3,(H,13,14).
What are the key properties of 2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid?
2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid has a molecular weight of 202.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid is sourced from PubChem (CID 63053244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).