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

C10H18N2O3 — CID 22969803

IUPAC3-(methylamino)-5-[methyl(prop-2-enyl)amino]-4-oxopentanoic acid
SMILESC=CCN(C)CC(=O)C(CC(=O)O)NC
InChIInChI=1S/C10H18N2O3/c1-4-5-12(3)7-9(13)8(11-2)6-10(14)15/h4,8,11H,1,5-7H2,2-3H3,(H,14,15)
InChIKeyHYRZPVJALMEHNW-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.26
Rot. Bonds8

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

3-(methylamino)-5-[methyl(prop-2-enyl)amino]-4-oxopentanoic acid (PubChem CID 22969803) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(methylamino)-5-[methyl(prop-2-enyl)amino]-4-oxopentanoic acid.

Molecular Properties

Compound Name3-(methylamino)-5-[methyl(prop-2-enyl)amino]-4-oxopentanoic acid
PubChem CID22969803
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(methylamino)-5-[methyl(prop-2-enyl)amino]-4-oxopentanoic acid
SMILESC=CCN(C)CC(=O)C(CC(=O)O)NC
InChIInChI=1S/C10H18N2O3/c1-4-5-12(3)7-9(13)8(11-2)6-10(14)15/h4,8,11H,1,5-7H2,2-3H3,(H,14,15)
InChIKeyHYRZPVJALMEHNW-UHFFFAOYSA-N
XLogP-0.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
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-[Butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969856
5-[Heptyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969860
5-[Hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969861
3-(Methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid
CID 22969863
(3S)-5-[cyclohexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 59909386
(3S)-5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 59909388

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-5-[methyl(prop-2-enyl)amino]-4-oxopentanoic acid?
The IUPAC name of 3-(methylamino)-5-[methyl(prop-2-enyl)amino]-4-oxopentanoic acid (CID 22969803) is 3-(methylamino)-5-[methyl(prop-2-enyl)amino]-4-oxopentanoic acid.
What is the SMILES notation for 3-(methylamino)-5-[methyl(prop-2-enyl)amino]-4-oxopentanoic acid?
The canonical SMILES for 3-(methylamino)-5-[methyl(prop-2-enyl)amino]-4-oxopentanoic acid is C=CCN(C)CC(=O)C(CC(=O)O)NC.
What is the InChIKey of 3-(methylamino)-5-[methyl(prop-2-enyl)amino]-4-oxopentanoic acid?
The InChIKey is HYRZPVJALMEHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-5-12(3)7-9(13)8(11-2)6-10(14)15/h4,8,11H,1,5-7H2,2-3H3,(H,14,15).
What are the key properties of 3-(methylamino)-5-[methyl(prop-2-enyl)amino]-4-oxopentanoic acid?
3-(methylamino)-5-[methyl(prop-2-enyl)amino]-4-oxopentanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.26, 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(prop-2-enyl)amino]-4-oxopentanoic acid is sourced from PubChem (CID 22969803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).