(Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate

C10H14N2O7 — CID 86757520

IUPAC(Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO.NC(=O)NC(=O)/C=C\C(=O)O
InChIInChI=1S/C5H6N2O4.C5H8O3/c6-5(11)7-3(8)1-2-4(9)10;1-2-5(7)8-4-3-6/h1-2H,(H,9,10)(H3,6,7,8,11);2,6H,1,3-4H2/b2-1-;
InChIKeyMOBHUMFHJAAIRR-ODZAUARKSA-N
MW274.23 g/mol
LogP-1.47
Rot. Bonds5

About (Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate

(Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate (PubChem CID 86757520) has the molecular formula C10H14N2O7 and a molecular weight of 274.23 g/mol. Its IUPAC name is (Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate.

Molecular Properties

Compound Name(Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate
PubChem CID86757520
Molecular FormulaC10H14N2O7
Molecular Weight274.23 g/mol
Exact Mass274.08
IUPAC Name(Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO.NC(=O)NC(=O)/C=C\C(=O)O
InChIInChI=1S/C5H6N2O4.C5H8O3/c6-5(11)7-3(8)1-2-4(9)10;1-2-5(7)8-4-3-6/h1-2H,(H,9,10)(H3,6,7,8,11);2,6H,1,3-4H2/b2-1-;
InChIKeyMOBHUMFHJAAIRR-ODZAUARKSA-N
XLogP-1.47
TPSA156.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

but-2-enedioic acid;2-hydroxyethyl prop-2-enoate
CID 173025199
carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate
CID 87408643
2-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
(Z)-but-2-enedioic acid;2-hydroxyethyl prop-2-enoate;2-methylprop-2-eneperoxoic acid
CID 159827497
2-hydroxyethyl prop-2-enoate;prop-2-enenitrile
CID 87740530
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
2-hydroxyethyl prop-2-enoate sulfate
CID 20566072
2-hydroxyethyl prop-2-enoate;isocyanic acid
CID 88778139
4-oxo-4-(4-prop-2-enoyloxybutoxy)but-2-enoic acid
CID 73413412
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
2-chloroethyl (E)-4-(carbamoylamino)-4-oxobut-2-enoate
CID 5356459

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate?
The IUPAC name of (Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate (CID 86757520) is (Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate.
What is the SMILES notation for (Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate?
The canonical SMILES for (Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate is C=CC(=O)OCCO.NC(=O)NC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate?
The InChIKey is MOBHUMFHJAAIRR-ODZAUARKSA-N. The full InChI is InChI=1S/C5H6N2O4.C5H8O3/c6-5(11)7-3(8)1-2-4(9)10;1-2-5(7)8-4-3-6/h1-2H,(H,9,10)(H3,6,7,8,11);2,6H,1,3-4H2/b2-1-;.
What are the key properties of (Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate?
(Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate has a molecular weight of 274.23 g/mol, XLogP of -1.47, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate is sourced from PubChem (CID 86757520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).