ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid

C14H26N2O5 — CID 144542863

IUPACethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid
SMILESC/C=C\C(=C/C)COC(=O)NCCC(N)=O.CC.O=CO
InChIInChI=1S/C11H18N2O3.C2H6.CH2O2/c1-3-5-9(4-2)8-16-11(15)13-7-6-10(12)14;1-2;2-1-3/h3-5H,6-8H2,1-2H3,(H2,12,14)(H,13,15);1-2H3;1H,(H,2,3)/b5-3-,9-4+;;
InChIKeyOZDQGUSFCLZZFB-ULOKQNOHSA-N
MW302.37 g/mol
LogP1.84
Rot. Bonds6

About ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid

ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid (PubChem CID 144542863) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid.

Molecular Properties

Compound Nameethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid
PubChem CID144542863
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Nameethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid
SMILESC/C=C\C(=C/C)COC(=O)NCCC(N)=O.CC.O=CO
InChIInChI=1S/C11H18N2O3.C2H6.CH2O2/c1-3-5-9(4-2)8-16-11(15)13-7-6-10(12)14;1-2;2-1-3/h3-5H,6-8H2,1-2H3,(H2,12,14)(H,13,15);1-2H3;1H,(H,2,3)/b5-3-,9-4+;;
InChIKeyOZDQGUSFCLZZFB-ULOKQNOHSA-N
XLogP1.84
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid?
The IUPAC name of ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid (CID 144542863) is ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid.
What is the SMILES notation for ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid?
The canonical SMILES for ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid is C/C=C\C(=C/C)COC(=O)NCCC(N)=O.CC.O=CO.
What is the InChIKey of ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid?
The InChIKey is OZDQGUSFCLZZFB-ULOKQNOHSA-N. The full InChI is InChI=1S/C11H18N2O3.C2H6.CH2O2/c1-3-5-9(4-2)8-16-11(15)13-7-6-10(12)14;1-2;2-1-3/h3-5H,6-8H2,1-2H3,(H2,12,14)(H,13,15);1-2H3;1H,(H,2,3)/b5-3-,9-4+;;.
What are the key properties of ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid?
ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid has a molecular weight of 302.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid is sourced from PubChem (CID 144542863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).