(Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid

C10H14N2O4 — CID 130245272

IUPAC(Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid
SMILESO=C(O)/C=C\C(=O)NCCN1CCCC1=O
InChIInChI=1S/C10H14N2O4/c13-8(3-4-10(15)16)11-5-7-12-6-1-2-9(12)14/h3-4H,1-2,5-7H2,(H,11,13)(H,15,16)/b4-3-
InChIKeyBMFXPRCIYSUVJY-ARJAWSKDSA-N
MW226.23 g/mol
LogP-0.63
Rot. Bonds5

About (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid

(Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid (PubChem CID 130245272) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid
PubChem CID130245272
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name(Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid
SMILESO=C(O)/C=C\C(=O)NCCN1CCCC1=O
InChIInChI=1S/C10H14N2O4/c13-8(3-4-10(15)16)11-5-7-12-6-1-2-9(12)14/h3-4H,1-2,5-7H2,(H,11,13)(H,15,16)/b4-3-
InChIKeyBMFXPRCIYSUVJY-ARJAWSKDSA-N
XLogP-0.63
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 11107943
3-[2-(3-Carboxyprop-2-enoylamino)ethylcarbamoyl]prop-2-enoic acid
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CID 240623
CID 240623
4-Oxo-4-((2-(2-oxoimidazolidin-1-yl)ethyl)amino)isocrotonic acid
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(E)-4-[2-[butyl-[(E)-3-carboxyprop-2-enoyl]amino]ethylamino]-4-oxobut-2-enoic acid
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(E)-but-2-enedioic acid;pyrrolidin-2-one
CID 19757929
Bis(prop-2-enoic acid);pyrrolidin-2-one
CID 20263302
(Z)-but-2-enedioic acid;pyrrolidin-2-one
CID 67142425
But-2-enedioic acid;pyrrolidin-2-one
CID 67913684
(E)-4-[(3S)-3-aminopyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 70330465
Acetic acid;prop-2-enoic acid;pyrrolidin-2-one
CID 70396499
acetic acid;(Z)-but-2-enedioic acid;pyrrolidin-2-one
CID 70545245

Frequently Asked Questions

What is the IUPAC name of (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid?
The IUPAC name of (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid (CID 130245272) is (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid.
What is the SMILES notation for (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid?
The canonical SMILES for (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid is O=C(O)/C=C\C(=O)NCCN1CCCC1=O.
What is the InChIKey of (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid?
The InChIKey is BMFXPRCIYSUVJY-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-8(3-4-10(15)16)11-5-7-12-6-1-2-9(12)14/h3-4H,1-2,5-7H2,(H,11,13)(H,15,16)/b4-3-.
What are the key properties of (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid?
(Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid has a molecular weight of 226.23 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid is sourced from PubChem (CID 130245272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).