propyl 2-(propoxycarbonylamino)pent-4-enoate

C12H21NO4 — CID 91722512

IUPACpropyl 2-(propoxycarbonylamino)pent-4-enoate
SMILESC=CCC(NC(=O)OCCC)C(=O)OCCC
InChIInChI=1S/C12H21NO4/c1-4-7-10(11(14)16-8-5-2)13-12(15)17-9-6-3/h4,10H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyBSTZJEBDCQOKPQ-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.02
Rot. Bonds8

About propyl 2-(propoxycarbonylamino)pent-4-enoate

propyl 2-(propoxycarbonylamino)pent-4-enoate (PubChem CID 91722512) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is propyl 2-(propoxycarbonylamino)pent-4-enoate.

Molecular Properties

Compound Namepropyl 2-(propoxycarbonylamino)pent-4-enoate
PubChem CID91722512
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namepropyl 2-(propoxycarbonylamino)pent-4-enoate
SMILESC=CCC(NC(=O)OCCC)C(=O)OCCC
InChIInChI=1S/C12H21NO4/c1-4-7-10(11(14)16-8-5-2)13-12(15)17-9-6-3/h4,10H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyBSTZJEBDCQOKPQ-UHFFFAOYSA-N
XLogP2.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentyl 2-(hexoxycarbonylamino)pent-4-enoate
CID 91691970
pentyl 2-(octoxycarbonylamino)pent-4-enoate
CID 91736081
heptadecyl 2-(butoxycarbonylamino)pent-4-enoate
CID 91725443
pentadecyl 2-(butoxycarbonylamino)pent-4-enoate
CID 91725441
pentadecyl 2-(2-methoxyethoxycarbonylamino)pent-4-enoate
CID 91725948
heptadecyl 2-(2-methoxyethoxycarbonylamino)pent-4-enoate
CID 91725950
hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate
CID 91721396
heptyl 2-(methoxycarbonylamino)pent-4-enoate
CID 91713240
hexyl 2-(2,2-dimethylpropoxycarbonylamino)pent-4-enoate
CID 91696071
2-hydroxyethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 10539205
heptyl 2-(phenylmethoxycarbonylamino)pent-4-enoate
CID 91699712
hexadecyl 2-(propoxycarbonylamino)hexanoate
CID 91726017

Frequently Asked Questions

What is the IUPAC name of propyl 2-(propoxycarbonylamino)pent-4-enoate?
The IUPAC name of propyl 2-(propoxycarbonylamino)pent-4-enoate (CID 91722512) is propyl 2-(propoxycarbonylamino)pent-4-enoate.
What is the SMILES notation for propyl 2-(propoxycarbonylamino)pent-4-enoate?
The canonical SMILES for propyl 2-(propoxycarbonylamino)pent-4-enoate is C=CCC(NC(=O)OCCC)C(=O)OCCC.
What is the InChIKey of propyl 2-(propoxycarbonylamino)pent-4-enoate?
The InChIKey is BSTZJEBDCQOKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-4-7-10(11(14)16-8-5-2)13-12(15)17-9-6-3/h4,10H,1,5-9H2,2-3H3,(H,13,15).
What are the key properties of propyl 2-(propoxycarbonylamino)pent-4-enoate?
propyl 2-(propoxycarbonylamino)pent-4-enoate has a molecular weight of 243.30 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(propoxycarbonylamino)pent-4-enoate is sourced from PubChem (CID 91722512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).