3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid

C10H20N2O3 — CID 106916209

IUPAC3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
SMILESCNC(=O)CCN(C)C(C(=O)O)C(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)9(10(14)15)12(4)6-5-8(13)11-3/h7,9H,5-6H2,1-4H3,(H,11,13)(H,14,15)
InChIKeyWXSMGWXKXXYJSM-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.16
Rot. Bonds6

About 3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid

3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid (PubChem CID 106916209) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
PubChem CID106916209
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
SMILESCNC(=O)CCN(C)C(C(=O)O)C(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)9(10(14)15)12(4)6-5-8(13)11-3/h7,9H,5-6H2,1-4H3,(H,11,13)(H,14,15)
InChIKeyWXSMGWXKXXYJSM-UHFFFAOYSA-N
XLogP0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916227
3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916274
2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106914932
3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide
CID 62324423
(2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid
CID 154125332
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide
CID 104556890
2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 43216485
3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide
CID 111107973
2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637395
3-methyl-2-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butanoic acid
CID 123741817
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 106813309

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid (CID 106916209) is 3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid is CNC(=O)CCN(C)C(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid?
The InChIKey is WXSMGWXKXXYJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)9(10(14)15)12(4)6-5-8(13)11-3/h7,9H,5-6H2,1-4H3,(H,11,13)(H,14,15).
What are the key properties of 3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid?
3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid is sourced from PubChem (CID 106916209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).