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

C11H22N2O3 — CID 22969856

IUPAC5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
SMILESCCCCN(C)CC(=O)C(CC(=O)O)NC
InChIInChI=1S/C11H22N2O3/c1-4-5-6-13(3)8-10(14)9(12-2)7-11(15)16/h9,12H,4-8H2,1-3H3,(H,15,16)
InChIKeyQQUPAXBNGCTZSN-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.35
Rot. Bonds9

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

5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid (PubChem CID 22969856) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
PubChem CID22969856
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
SMILESCCCCN(C)CC(=O)C(CC(=O)O)NC
InChIInChI=1S/C11H22N2O3/c1-4-5-6-13(3)8-10(14)9(12-2)7-11(15)16/h9,12H,4-8H2,1-3H3,(H,15,16)
InChIKeyQQUPAXBNGCTZSN-UHFFFAOYSA-N
XLogP0.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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(pentyl)amino]-4-oxopentanoic acid
CID 22969760
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-[Heptyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969860

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
The IUPAC name of 5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid (CID 22969856) is 5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid.
What is the SMILES notation for 5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
The canonical SMILES for 5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid is CCCCN(C)CC(=O)C(CC(=O)O)NC.
What is the InChIKey of 5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
The InChIKey is QQUPAXBNGCTZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-5-6-13(3)8-10(14)9(12-2)7-11(15)16/h9,12H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid is sourced from PubChem (CID 22969856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).