2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid

C11H22N2O3 — CID 110834656

IUPAC2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N(C)C(=O)CCN(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)10(11(15)16)13(5)9(14)6-7-12(3)4/h8,10H,6-7H2,1-5H3,(H,15,16)
InChIKeyABYLJNJRDAXGRU-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.51
Rot. Bonds6

About 2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid

2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid (PubChem CID 110834656) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid
PubChem CID110834656
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N(C)C(=O)CCN(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)10(11(15)16)13(5)9(14)6-7-12(3)4/h8,10H,6-7H2,1-5H3,(H,15,16)
InChIKeyABYLJNJRDAXGRU-UHFFFAOYSA-N
XLogP0.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(dimethylamino)propanoyl-methylamino]-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-[3-(dimethylamino)propanoyl-methylamino]propanoic acid
CID 118568669
(2R)-2-[(2-chloroacetyl)-methylamino]-3-methylbutanoic acid
CID 15677270
N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide
CID 167181604
(2S)-2-[(2-formamidoacetyl)-methylamino]-3-methylbutanoic acid
CID 89273133
(2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid
CID 87582497
fermium;3-methyl-2-[methyl(oxomethyl)amino]butanoic acid
CID 166481876
3-methyl-2-[methyl-[2-(oxan-4-yl)acetyl]amino]butanoic acid
CID 110837449
3-methyl-2-[methyl-[2-(oxan-3-yl)acetyl]amino]butanoic acid
CID 110837478
3-(dimethylamino)-N,N-dimethylpropanamide;hydrochloride
CID 146155865
2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
CID 71299250
(2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid
CID 154125332
3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916209

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid?
The IUPAC name of 2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid (CID 110834656) is 2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid?
The canonical SMILES for 2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid is CC(C)C(C(=O)O)N(C)C(=O)CCN(C)C.
What is the InChIKey of 2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid?
The InChIKey is ABYLJNJRDAXGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)10(11(15)16)13(5)9(14)6-7-12(3)4/h8,10H,6-7H2,1-5H3,(H,15,16).
What are the key properties of 2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid?
2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid is sourced from PubChem (CID 110834656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).