5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid

C11H19NO4 — CID 62964547

IUPAC5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid
SMILESC=COCCCNC(=O)CC(C)CC(=O)O
InChIInChI=1S/C11H19NO4/c1-3-16-6-4-5-12-10(13)7-9(2)8-11(14)15/h3,9H,1,4-8H2,2H3,(H,12,13)(H,14,15)
InChIKeyNSTMPAMLVKQULV-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.15
Rot. Bonds9

About 5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid

5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid (PubChem CID 62964547) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid
PubChem CID62964547
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid
SMILESC=COCCCNC(=O)CC(C)CC(=O)O
InChIInChI=1S/C11H19NO4/c1-3-16-6-4-5-12-10(13)7-9(2)8-11(14)15/h3,9H,1,4-8H2,2H3,(H,12,13)(H,14,15)
InChIKeyNSTMPAMLVKQULV-UHFFFAOYSA-N
XLogP1.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087
1-(3-ethenoxypropyl)-3-propan-2-ylurea
CID 59741503
5-(3-ethenoxypropylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62932848
N-(3-ethenoxypropyl)-2-(methylamino)acetamide
CID 61274455
(2R)-2-amino-N-(3-ethenoxypropyl)propanamide
CID 78973332
5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965238
5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62964201
3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid
CID 62964548
3-methyl-5-oxo-5-(3-phenylmethoxypropylamino)pentanoic acid
CID 62965038
3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide
CID 62726850
3-methyl-5-oxo-5-(2-prop-2-enylsulfanylethylamino)pentanoic acid
CID 106426614
1-[2-(3-ethenoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 54867496

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid (CID 62964547) is 5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid is C=COCCCNC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is NSTMPAMLVKQULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-16-6-4-5-12-10(13)7-9(2)8-11(14)15/h3,9H,1,4-8H2,2H3,(H,12,13)(H,14,15).
What are the key properties of 5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid?
5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).