5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid

C9H15NO4 — CID 87964264

IUPAC5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid
SMILESC=C(CCCOC(=O)NCC)C(=O)O
InChIInChI=1S/C9H15NO4/c1-3-10-9(13)14-6-4-5-7(2)8(11)12/h2-6H2,1H3,(H,10,13)(H,11,12)
InChIKeyLKFLQAVFLKNTBT-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.15
Rot. Bonds6

About 5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid

5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid (PubChem CID 87964264) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid
PubChem CID87964264
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid
SMILESC=C(CCCOC(=O)NCC)C(=O)O
InChIInChI=1S/C9H15NO4/c1-3-10-9(13)14-6-4-5-7(2)8(11)12/h2-6H2,1H3,(H,10,13)(H,11,12)
InChIKeyLKFLQAVFLKNTBT-UHFFFAOYSA-N
XLogP1.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(methylcarbamoyloxy)-2-methylidenepentanoic acid
CID 87964103
4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
CID 158264947
5-(5-ethoxy-2-methylidenepentanoyl)oxy-2-methylidenepentanoic acid
CID 91518371
4-(butoxycarbamoyloxy)-2-methylidenebutanoic acid
CID 122598325
2-methylidene-5-pentoxypentanoic acid
CID 87899269
2-methylidene-6-propoxyhexanoic acid
CID 54278794
3-trimethoxysilylpropyl N-ethylcarbamate
CID 141299564
2-methylidenehexanoic acid;zinc
CID 174824467
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylcarbamoyloxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl butanoate
CID 157351011
6-(ethylamino)-2-methylidenehexanoic acid
CID 22731125
2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen
CID 163302346
ethane;2-methylidenehexanoic acid
CID 162072915

Frequently Asked Questions

What is the IUPAC name of 5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid?
The IUPAC name of 5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid (CID 87964264) is 5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid.
What is the SMILES notation for 5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid?
The canonical SMILES for 5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid is C=C(CCCOC(=O)NCC)C(=O)O.
What is the InChIKey of 5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid?
The InChIKey is LKFLQAVFLKNTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-10-9(13)14-6-4-5-7(2)8(11)12/h2-6H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid?
5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid has a molecular weight of 201.22 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid is sourced from PubChem (CID 87964264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).