(Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide

C9H11N3O5 — CID 138599210

IUPAC(Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide
SMILESO=C/C=C\C(=O)NCC(=O)NCC(=O)NC=O
InChIInChI=1S/C9H11N3O5/c13-3-1-2-7(15)10-4-8(16)11-5-9(17)12-6-14/h1-3,6H,4-5H2,(H,10,15)(H,11,16)(H,12,14,17)/b2-1-
InChIKeyRLRJXHSPVRHNMD-UPHRSURJSA-N
MW241.20 g/mol
LogP-2.75
Rot. Bonds7

About (Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide

(Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide (PubChem CID 138599210) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is (Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide
PubChem CID138599210
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name(Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide
SMILESO=C/C=C\C(=O)NCC(=O)NCC(=O)NC=O
InChIInChI=1S/C9H11N3O5/c13-3-1-2-7(15)10-4-8(16)11-5-9(17)12-6-14/h1-3,6H,4-5H2,(H,10,15)(H,11,16)(H,12,14,17)/b2-1-
InChIKeyRLRJXHSPVRHNMD-UPHRSURJSA-N
XLogP-2.75
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-2.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2-aminoethyl)-4-oxobut-2-enamide
CID 88954023
phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate
CID 126593273
2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid
CID 155736518
(E)-4-[[2-(methylamino)-2-oxoethyl]amino]-4-oxobut-2-enoic acid
CID 43529042
2-formamido-N-[2-(methoxymethylamino)-2-oxoethyl]acetamide
CID 170751982
ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen
CID 169185190
2-[[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387528
2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387522
2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide
CID 173312497
2-amino-N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]acetamide
CID 122707091
N-(prop-2-enylcarbamoyl)formamide
CID 87901285
2-[[2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387469

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide?
The IUPAC name of (Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide (CID 138599210) is (Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide.
What is the SMILES notation for (Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide?
The canonical SMILES for (Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide is O=C/C=C\C(=O)NCC(=O)NCC(=O)NC=O.
What is the InChIKey of (Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide?
The InChIKey is RLRJXHSPVRHNMD-UPHRSURJSA-N. The full InChI is InChI=1S/C9H11N3O5/c13-3-1-2-7(15)10-4-8(16)11-5-9(17)12-6-14/h1-3,6H,4-5H2,(H,10,15)(H,11,16)(H,12,14,17)/b2-1-.
What are the key properties of (Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide?
(Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide has a molecular weight of 241.20 g/mol, XLogP of -2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide is sourced from PubChem (CID 138599210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).