2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid

C11H24N2O2 — CID 103246578

IUPAC2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid
SMILESCC(CCN(C)C)NC(C(=O)O)C(C)C
InChIInChI=1S/C11H24N2O2/c1-8(2)10(11(14)15)12-9(3)6-7-13(4)5/h8-10,12H,6-7H2,1-5H3,(H,14,15)
InChIKeyWBGMZXRJDCQNAC-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.03
Rot. Bonds7

About 2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid

2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid (PubChem CID 103246578) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid
PubChem CID103246578
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid
SMILESCC(CCN(C)C)NC(C(=O)O)C(C)C
InChIInChI=1S/C11H24N2O2/c1-8(2)10(11(14)15)12-9(3)6-7-13(4)5/h8-10,12H,6-7H2,1-5H3,(H,14,15)
InChIKeyWBGMZXRJDCQNAC-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

Analyze 2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 54968042
2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid
CID 103233778
2-(butan-2-ylamino)-3-methylbutanoic acid
CID 12837669
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64631382
3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115900895
(2S)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 63701166
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82939192
(E)-3-[4-(dimethylamino)butan-2-ylamino]prop-2-enoic acid
CID 103246575
N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylpropanamide
CID 62044781
(2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107826942
2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid
CID 103265266
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid
CID 103265823

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid?
The IUPAC name of 2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid (CID 103246578) is 2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid?
The canonical SMILES for 2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid is CC(CCN(C)C)NC(C(=O)O)C(C)C.
What is the InChIKey of 2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid?
The InChIKey is WBGMZXRJDCQNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(2)10(11(14)15)12-9(3)6-7-13(4)5/h8-10,12H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid?
2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic 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-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid is sourced from PubChem (CID 103246578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).