pentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate

C15H25NO4 — CID 91692711

IUPACpentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate
SMILESC=CCCOC(=O)NC(CC=C)C(=O)OCCCCC
InChIInChI=1S/C15H25NO4/c1-4-7-9-12-19-14(17)13(10-6-3)16-15(18)20-11-8-5-2/h5-6,13H,2-4,7-12H2,1H3,(H,16,18)
InChIKeyNWODYHCXZJMMPJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.97
Rot. Bonds11

About pentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate

pentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate (PubChem CID 91692711) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is pentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate.

Molecular Properties

Compound Namepentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate
PubChem CID91692711
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namepentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate
SMILESC=CCCOC(=O)NC(CC=C)C(=O)OCCCCC
InChIInChI=1S/C15H25NO4/c1-4-7-9-12-19-14(17)13(10-6-3)16-15(18)20-11-8-5-2/h5-6,13H,2-4,7-12H2,1H3,(H,16,18)
InChIKeyNWODYHCXZJMMPJ-UHFFFAOYSA-N
XLogP2.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
CID 9837499
Boc-L-Homoallylglycine Methyl ester
CID 10444455
Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
CID 10857232
tert-Butyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
CID 10923644
l-Norvaline, N-allyloxycarbonyl-, ethyl ester
CID 91722481
(S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
CID 10880206
Methyl N-methoxycarbonyl-2-amino-4-pentenoate
CID 11074136
(2S)-2-tert-Butoxycarbonylamino-pent-4-enoic acid ethyl ester
CID 11311085
(R)-Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
CID 58169888
Ethyl 3,3-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate
CID 9971620
methyl (2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 102278748
2-Aminopent-4-enoic acid, N-vinyloxycarbonyl-, pentyl ester
CID 91691784

Frequently Asked Questions

What is the IUPAC name of pentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate?
The IUPAC name of pentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate (CID 91692711) is pentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate.
What is the SMILES notation for pentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate?
The canonical SMILES for pentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate is C=CCCOC(=O)NC(CC=C)C(=O)OCCCCC.
What is the InChIKey of pentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate?
The InChIKey is NWODYHCXZJMMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-7-9-12-19-14(17)13(10-6-3)16-15(18)20-11-8-5-2/h5-6,13H,2-4,7-12H2,1H3,(H,16,18).
What are the key properties of pentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate?
pentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate has a molecular weight of 283.37 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-(but-3-enoxycarbonylamino)pent-4-enoate is sourced from PubChem (CID 91692711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).