ethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate

C11H18N3O3P — CID 22976984

IUPACethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
SMILESCCOC(=O)/C=C/C(CC1CCNC1=O)/N=P/N
InChIInChI=1S/C11H18N3O3P/c1-2-17-10(15)4-3-9(14-18-12)7-8-5-6-13-11(8)16/h3-4,8-9H,2,5-7H2,1H3,(H2,12,14)(H,13,16)/b4-3+
InChIKeyWTPWPNUZNXHNHW-ONEGZZNKSA-N
MW271.26 g/mol
LogP1.00
Rot. Bonds6

About ethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate

ethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate (PubChem CID 22976984) has the molecular formula C11H18N3O3P and a molecular weight of 271.26 g/mol. Its IUPAC name is ethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
PubChem CID22976984
Molecular FormulaC11H18N3O3P
Molecular Weight271.26 g/mol
Exact Mass271.11
IUPAC Nameethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
SMILESCCOC(=O)/C=C/C(CC1CCNC1=O)/N=P/N
InChIInChI=1S/C11H18N3O3P/c1-2-17-10(15)4-3-9(14-18-12)7-8-5-6-13-11(8)16/h3-4,8-9H,2,5-7H2,1H3,(H2,12,14)(H,13,16)/b4-3+
InChIKeyWTPWPNUZNXHNHW-ONEGZZNKSA-N
XLogP1.00
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-4-amino-2-fluoro-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 168181339
ethyl (Z,4S)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 168182173
ethyl (Z,4S)-4-amino-2-fluoro-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 168183041
ethyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 168183498
ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate
CID 135039747
(e)-(s)-4-((s)-2-Pent-4-ynoylamino)-5-((s)-2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
CID 162787766
ethyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 9949254
cyclopentyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 10861481
(2E,4S)-4-[(tert-Butyloxycarbonyl)amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Eethyl Ester
CID 10903510
2,2-dimethylpropyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 11014065
(2E,4S)-4-Amino-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Ethyl Ester
CID 11042424
propan-2-yl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 11046081

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
The IUPAC name of ethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate (CID 22976984) is ethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate.
What is the SMILES notation for ethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
The canonical SMILES for ethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate is CCOC(=O)/C=C/C(CC1CCNC1=O)/N=P/N.
What is the InChIKey of ethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
The InChIKey is WTPWPNUZNXHNHW-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H18N3O3P/c1-2-17-10(15)4-3-9(14-18-12)7-8-5-6-13-11(8)16/h3-4,8-9H,2,5-7H2,1H3,(H2,12,14)(H,13,16)/b4-3+.
What are the key properties of ethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
ethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate has a molecular weight of 271.26 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate is sourced from PubChem (CID 22976984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).