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

C10H22N2O2 — CID 63030187

IUPAC2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid
SMILESCCC(CC)N(C)CCC(N)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-4-8(5-2)12(3)7-6-9(11)10(13)14/h8-9H,4-7,11H2,1-3H3,(H,13,14)
InChIKeyQBLJDDBAPLEYGM-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.91
Rot. Bonds7

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

2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid (PubChem CID 63030187) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid
PubChem CID63030187
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid
SMILESCCC(CC)N(C)CCC(N)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-4-8(5-2)12(3)7-6-9(11)10(13)14/h8-9H,4-7,11H2,1-3H3,(H,13,14)
InChIKeyQBLJDDBAPLEYGM-UHFFFAOYSA-N
XLogP0.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid
CID 63028227
2-amino-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 112661509
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide
CID 63030006
2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 63053244
3-[methyl(3-methylbutyl)amino]pentanoic acid
CID 63074034
ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63029828
(2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol
CID 23619747
2-amino-6-(dimethylamino)hexanoic acid;ethane
CID 177245948

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid (CID 63030187) is 2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid is CCC(CC)N(C)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid?
The InChIKey is QBLJDDBAPLEYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-8(5-2)12(3)7-6-9(11)10(13)14/h8-9H,4-7,11H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid?
2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid has a molecular weight of 202.30 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid is sourced from PubChem (CID 63030187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).