ethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate

C11H22NO5P — CID 12904293

IUPACethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate
SMILESCC/C=C(\NP(=O)(OCC)OCC)C(=O)OCC
InChIInChI=1S/C11H22NO5P/c1-5-9-10(11(13)15-6-2)12-18(14,16-7-3)17-8-4/h9H,5-8H2,1-4H3,(H,12,14)/b10-9-
InChIKeyOGTHBFQACLZTHA-KTKRTIGZSA-N
MW279.27 g/mol
LogP2.61
Rot. Bonds9

About ethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate

ethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate (PubChem CID 12904293) has the molecular formula C11H22NO5P and a molecular weight of 279.27 g/mol. Its IUPAC name is ethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate
PubChem CID12904293
Molecular FormulaC11H22NO5P
Molecular Weight279.27 g/mol
Exact Mass279.12
IUPAC Nameethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate
SMILESCC/C=C(\NP(=O)(OCC)OCC)C(=O)OCC
InChIInChI=1S/C11H22NO5P/c1-5-9-10(11(13)15-6-2)12-18(14,16-7-3)17-8-4/h9H,5-8H2,1-4H3,(H,12,14)/b10-9-
InChIKeyOGTHBFQACLZTHA-KTKRTIGZSA-N
XLogP2.61
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 15458544
ethyl (E)-2-methylpent-2-enoate
CID 6436311
ethyl (Z)-2-benzamido-4-[ethoxy(methyl)phosphoryl]but-2-enoate
CID 68912357
ethyl (E)-2-(diphenylphosphorylamino)hex-2-enoate
CID 12904304
ethyl (E)-2-(diphenylphosphorylamino)but-2-enoate
CID 12904300
ethyl (E)-2-ethynylbut-2-enoate
CID 5365511
ethyl (Z)-2-fluoropent-2-enoate
CID 14691806
ethyl 2-(ethoxycarbonylamino)but-2-enoate
CID 174562538
ethyl 2-(2-bromoacetyl)pent-2-enoate
CID 54454296
ethyl 2-benzamidohex-2-enoate
CID 54135301
ethyl (Z)-2-benzamido-4-[methoxy(methyl)phosphoryl]but-2-enoate
CID 68913158
ethyl (E)-3-chloro-3-diethoxyphosphoryl-2-hydroxyprop-2-enoate
CID 13428132

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate?
The IUPAC name of ethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate (CID 12904293) is ethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate.
What is the SMILES notation for ethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate?
The canonical SMILES for ethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate is CC/C=C(\NP(=O)(OCC)OCC)C(=O)OCC.
What is the InChIKey of ethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate?
The InChIKey is OGTHBFQACLZTHA-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H22NO5P/c1-5-9-10(11(13)15-6-2)12-18(14,16-7-3)17-8-4/h9H,5-8H2,1-4H3,(H,12,14)/b10-9-.
What are the key properties of ethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate?
ethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate has a molecular weight of 279.27 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-(diethoxyphosphorylamino)pent-2-enoate is sourced from PubChem (CID 12904293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).