2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide

C20H31N5O6 — CID 167244194

IUPAC2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide
SMILESC/C=C(/C)O/N=C/C(=O)NC(C(=O)NCC(=O)NC(C=O)CC1CCNC1=O)C(C)C
InChIInChI=1S/C20H31N5O6/c1-5-13(4)31-23-10-17(28)25-18(12(2)3)20(30)22-9-16(27)24-15(11-26)8-14-6-7-21-19(14)29/h5,10-12,14-15,18H,6-9H2,1-4H3,(H,21,29)(H,22,30)(H,24,27)(H,25,28)/b13-5-,23-10+
InChIKeyDNOXPTPIIUTQDF-KNMOTLQESA-N
MW437.50 g/mol
LogP-0.62
Rot. Bonds12

About 2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide

2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide (PubChem CID 167244194) has the molecular formula C20H31N5O6 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide.

Molecular Properties

Compound Name2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide
PubChem CID167244194
Molecular FormulaC20H31N5O6
Molecular Weight437.50 g/mol
Exact Mass437.23
IUPAC Name2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide
SMILESC/C=C(/C)O/N=C/C(=O)NC(C(=O)NCC(=O)NC(C=O)CC1CCNC1=O)C(C)C
InChIInChI=1S/C20H31N5O6/c1-5-13(4)31-23-10-17(28)25-18(12(2)3)20(30)22-9-16(27)24-15(11-26)8-14-6-7-21-19(14)29/h5,10-12,14-15,18H,6-9H2,1-4H3,(H,21,29)(H,22,30)(H,24,27)(H,25,28)/b13-5-,23-10+
InChIKeyDNOXPTPIIUTQDF-KNMOTLQESA-N
XLogP-0.62
TPSA155.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-N-[(2S)-3-methyl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]quinoline-2-carboxamide
CID 166691656
tert-butyl N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]carbamate
CID 166157042
benzene;ethyl (E)-4-[[2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]acetyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 143215530
5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
CID 167244133
benzyl N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 143239745
methoxymethane;3-naphthalen-1-yl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-2-[(2-phenylacetyl)amino]propanamide
CID 145401650
(2S)-4-methyl-2-[[(2S)-3-methyl-2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butanoyl]amino]-N-[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]pentanamide
CID 162515914
(2S)-3,3-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(3-phenylprop-2-enoylamino)butanamide
CID 162515913
N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide
CID 167455793
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 146672918
2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide
CID 172806671
benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen
CID 155736191

Frequently Asked Questions

What is the IUPAC name of 2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide?
The IUPAC name of 2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide (CID 167244194) is 2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide.
What is the SMILES notation for 2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide?
The canonical SMILES for 2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide is C/C=C(/C)O/N=C/C(=O)NC(C(=O)NCC(=O)NC(C=O)CC1CCNC1=O)C(C)C.
What is the InChIKey of 2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide?
The InChIKey is DNOXPTPIIUTQDF-KNMOTLQESA-N. The full InChI is InChI=1S/C20H31N5O6/c1-5-13(4)31-23-10-17(28)25-18(12(2)3)20(30)22-9-16(27)24-15(11-26)8-14-6-7-21-19(14)29/h5,10-12,14-15,18H,6-9H2,1-4H3,(H,21,29)(H,22,30)(H,24,27)(H,25,28)/b13-5-,23-10+.
What are the key properties of 2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide?
2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide has a molecular weight of 437.50 g/mol, XLogP of -0.62, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-2-[(Z)-but-2-en-2-yl]oxyiminoacetyl]amino]-3-methyl-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]butanamide is sourced from PubChem (CID 167244194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).