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

C11H22N2O3 — CID 110834659

IUPAC3-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid
SMILESCN(C)CCC(=O)N(C)C(C)(C)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-11(2,8-10(15)16)13(5)9(14)6-7-12(3)4/h6-8H2,1-5H3,(H,15,16)
InChIKeyLDPUWXLZGREPMW-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.65
Rot. Bonds6

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

3-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid (PubChem CID 110834659) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid
PubChem CID110834659
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid
SMILESCN(C)CCC(=O)N(C)C(C)(C)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-11(2,8-10(15)16)13(5)9(14)6-7-12(3)4/h6-8H2,1-5H3,(H,15,16)
InChIKeyLDPUWXLZGREPMW-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid?
The IUPAC name of 3-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid (CID 110834659) is 3-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid is CN(C)CCC(=O)N(C)C(C)(C)CC(=O)O.
What is the InChIKey of 3-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid?
The InChIKey is LDPUWXLZGREPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,8-10(15)16)13(5)9(14)6-7-12(3)4/h6-8H2,1-5H3,(H,15,16).
What are the key properties of 3-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid?
3-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid is sourced from PubChem (CID 110834659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).