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

C12H24N2O3 — CID 22969760

IUPAC3-(methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid
SMILESCCCCCN(C)CC(=O)C(CC(=O)O)NC
InChIInChI=1S/C12H24N2O3/c1-4-5-6-7-14(3)9-11(15)10(13-2)8-12(16)17/h10,13H,4-9H2,1-3H3,(H,16,17)
InChIKeyPQPYWNPAZNEJNV-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.74
Rot. Bonds10

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

3-(methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid (PubChem CID 22969760) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-(methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid.

Molecular Properties

Compound Name3-(methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid
PubChem CID22969760
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-(methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid
SMILESCCCCCN(C)CC(=O)C(CC(=O)O)NC
InChIInChI=1S/C12H24N2O3/c1-4-5-6-7-14(3)9-11(15)10(13-2)8-12(16)17/h10,13H,4-9H2,1-3H3,(H,16,17)
InChIKeyPQPYWNPAZNEJNV-UHFFFAOYSA-N
XLogP0.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(Hexylamino)-4-oxopentanoic acid
CID 44583115
5-[4-Fluorobutyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969798
5-[5-Fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969799
5-[6-Fluorohexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969800
5-(4-Carboxybutan-2-ylamino)-4-oxopentanoic acid
CID 10681019
3-(Methylamino)-5-[methyl(octyl)amino]-4-oxopentanoic acid
CID 22969759
3-(Methylamino)-5-[methyl(propyl)amino]-4-oxopentanoic acid
CID 22969763
5-[2-Methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969792
5-[4-Chlorobutyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969797
3-(Methylamino)-5-[methyl(prop-2-enyl)amino]-4-oxopentanoic acid
CID 22969803
5-[Butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969856
5-[Heptyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969860

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid?
The IUPAC name of 3-(methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid (CID 22969760) is 3-(methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid.
What is the SMILES notation for 3-(methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid?
The canonical SMILES for 3-(methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid is CCCCCN(C)CC(=O)C(CC(=O)O)NC.
What is the InChIKey of 3-(methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid?
The InChIKey is PQPYWNPAZNEJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-5-6-7-14(3)9-11(15)10(13-2)8-12(16)17/h10,13H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-(methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid?
3-(methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid is sourced from PubChem (CID 22969760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).