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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Related Compounds

3-methyl-3-[methyl(propyl)amino]butanoic acid
CID 117042303
3-(dimethylamino)-N,N-dimethylpropanamide;hydrochloride
CID 146155865
3-[carbamoyl-[2-(dimethylamino)ethyl]amino]-3-methylbutanoic acid
CID 96599662
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
3-methyl-3-[methyl-[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 110834679
N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 88686314
5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933573
2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
CID 107423497
3-methyl-3-[methyl-[2-(oxan-2-yl)acetyl]amino]butanoic acid
CID 110837566
3-methyl-3-[methyl-[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid
CID 110836058
butanoic acid;N,N-dimethylpropan-1-amine
CID 173099179
N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide
CID 167181604

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).