3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid

C11H22N2O3 — CID 22969863

IUPAC3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid
SMILESCNC(CC(=O)O)C(=O)CN(C)CC(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)6-13(4)7-10(14)9(12-3)5-11(15)16/h8-9,12H,5-7H2,1-4H3,(H,15,16)
InChIKeyMZCIKTBGOOWDRM-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.21
Rot. Bonds8

About 3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid

3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid (PubChem CID 22969863) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid.

Molecular Properties

Compound Name3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid
PubChem CID22969863
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid
SMILESCNC(CC(=O)O)C(=O)CN(C)CC(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)6-13(4)7-10(14)9(12-3)5-11(15)16/h8-9,12H,5-7H2,1-4H3,(H,15,16)
InChIKeyMZCIKTBGOOWDRM-UHFFFAOYSA-N
XLogP0.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid?
The IUPAC name of 3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid (CID 22969863) is 3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid.
What is the SMILES notation for 3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid?
The canonical SMILES for 3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid is CNC(CC(=O)O)C(=O)CN(C)CC(C)C.
What is the InChIKey of 3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid?
The InChIKey is MZCIKTBGOOWDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)6-13(4)7-10(14)9(12-3)5-11(15)16/h8-9,12H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid?
3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid is sourced from PubChem (CID 22969863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).