2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid

C11H24N2O2 — CID 79397094

IUPAC2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid
SMILESCC(NCCN(C)C(C)C)C(C)C(=O)O
InChIInChI=1S/C11H24N2O2/c1-8(2)13(5)7-6-12-10(4)9(3)11(14)15/h8-10,12H,6-7H2,1-5H3,(H,14,15)
InChIKeyXGIRKJAIMLSURZ-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.03
Rot. Bonds7

About 2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid

2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid (PubChem CID 79397094) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid
PubChem CID79397094
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid
SMILESCC(NCCN(C)C(C)C)C(C)C(=O)O
InChIInChI=1S/C11H24N2O2/c1-8(2)13(5)7-6-12-10(4)9(3)11(14)15/h8-10,12H,6-7H2,1-5H3,(H,14,15)
InChIKeyXGIRKJAIMLSURZ-UHFFFAOYSA-N
XLogP1.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid
CID 64667381
2-methyl-3-(pentylamino)butanoic acid
CID 79391822
2-methyl-3-(2-methylpropylamino)butanoic acid
CID 79391820
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584
N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62641224
3-(cyclopropylmethylamino)-2-methylbutanoic acid
CID 79392139
2-methyl-3-(2-phenoxyethylamino)butanoic acid
CID 79391971
(2S)-3-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 55097791
N-ethyl-N-methyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62639952
2-methyl-3-(2-phenylethylamino)butanoic acid
CID 79391507
2-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1,2-diamine
CID 103389816
N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane
CID 170647127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid?
The IUPAC name of 2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid (CID 79397094) is 2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid.
What is the SMILES notation for 2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid?
The canonical SMILES for 2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid is CC(NCCN(C)C(C)C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid?
The InChIKey is XGIRKJAIMLSURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(2)13(5)7-6-12-10(4)9(3)11(14)15/h8-10,12H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid?
2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid has a molecular weight of 216.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid is sourced from PubChem (CID 79397094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).