methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid

C10H24N2O3 — CID 157195550

IUPACmethane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid
SMILESC.C.CNCC(=O)C(CNC)CC(=O)O
InChIInChI=1S/C8H16N2O3.2CH4/c1-9-4-6(3-8(12)13)7(11)5-10-2;;/h6,9-10H,3-5H2,1-2H3,(H,12,13);2*1H4
InChIKeyAQFAFSFPTYNTLS-UHFFFAOYSA-N
MW220.31 g/mol
LogP0.36
Rot. Bonds7

About methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid

methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid (PubChem CID 157195550) has the molecular formula C10H24N2O3 and a molecular weight of 220.31 g/mol. Its IUPAC name is methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid.

Molecular Properties

Compound Namemethane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid
PubChem CID157195550
Molecular FormulaC10H24N2O3
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Namemethane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid
SMILESC.C.CNCC(=O)C(CNC)CC(=O)O
InChIInChI=1S/C8H16N2O3.2CH4/c1-9-4-6(3-8(12)13)7(11)5-10-2;;/h6,9-10H,3-5H2,1-2H3,(H,12,13);2*1H4
InChIKeyAQFAFSFPTYNTLS-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid?
The IUPAC name of methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid (CID 157195550) is methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid.
What is the SMILES notation for methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid?
The canonical SMILES for methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid is C.C.CNCC(=O)C(CNC)CC(=O)O.
What is the InChIKey of methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid?
The InChIKey is AQFAFSFPTYNTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.2CH4/c1-9-4-6(3-8(12)13)7(11)5-10-2;;/h6,9-10H,3-5H2,1-2H3,(H,12,13);2*1H4.
What are the key properties of methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid?
methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid has a molecular weight of 220.31 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-(methylamino)-3-(methylaminomethyl)-4-oxopentanoic acid is sourced from PubChem (CID 157195550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).