3-[3-(dimethylamino)propyl-methylamino]butanoic acid

C10H22N2O2 — CID 63693695

IUPAC3-[3-(dimethylamino)propyl-methylamino]butanoic acid
SMILESCC(CC(=O)O)N(C)CCCN(C)C
InChIInChI=1S/C10H22N2O2/c1-9(8-10(13)14)12(4)7-5-6-11(2)3/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyKHNBWIIZFMGTLC-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.73
Rot. Bonds7

About 3-[3-(dimethylamino)propyl-methylamino]butanoic acid

3-[3-(dimethylamino)propyl-methylamino]butanoic acid (PubChem CID 63693695) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-methylamino]butanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-methylamino]butanoic acid
PubChem CID63693695
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-[3-(dimethylamino)propyl-methylamino]butanoic acid
SMILESCC(CC(=O)O)N(C)CCCN(C)C
InChIInChI=1S/C10H22N2O2/c1-9(8-10(13)14)12(4)7-5-6-11(2)3/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyKHNBWIIZFMGTLC-UHFFFAOYSA-N
XLogP0.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(pentyl)amino]butanoic acid
CID 43537465
3-[methyl(2-methylpropyl)amino]butanoic acid
CID 43537457
3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916227
2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
CID 63693592
3-[3-(dimethylamino)propylcarbamoyl-ethylamino]butanoic acid
CID 62827325
2-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63698900
3-[2-cyclobutylethyl(methyl)amino]butanoic acid
CID 117042297
3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid
CID 64896902
N,N-dimethylbutan-1-amine;propanoic acid
CID 173099075
2-[3-(dimethylamino)propyl-ethylamino]propanoic acid
CID 102994663
3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid
CID 59060587
6-[1-hydroxypropan-2-yl(methyl)amino]hexanoic acid
CID 104552515

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-methylamino]butanoic acid?
The IUPAC name of 3-[3-(dimethylamino)propyl-methylamino]butanoic acid (CID 63693695) is 3-[3-(dimethylamino)propyl-methylamino]butanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-methylamino]butanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)propyl-methylamino]butanoic acid is CC(CC(=O)O)N(C)CCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propyl-methylamino]butanoic acid?
The InChIKey is KHNBWIIZFMGTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(8-10(13)14)12(4)7-5-6-11(2)3/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-[3-(dimethylamino)propyl-methylamino]butanoic acid?
3-[3-(dimethylamino)propyl-methylamino]butanoic acid has a molecular weight of 202.30 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-methylamino]butanoic acid is sourced from PubChem (CID 63693695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).