N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide

C20H31N5O5 — CID 165384416

IUPACN-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
SMILESC=CC(=O)N(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)N1CC[C@H](NC(C)=O)C1=O
InChIInChI=1S/C20H31N5O5/c1-5-17(27)25(11-14-6-8-21-18(14)28)23-19(29)16(10-12(2)3)24-9-7-15(20(24)30)22-13(4)26/h5,12,14-16H,1,6-11H2,2-4H3,(H,21,28)(H,22,26)(H,23,29)/t14-,15-,16-/m0/s1
InChIKeyQEKUHJMYFWJVKM-JYJNAYRXSA-N
MW421.50 g/mol
LogP-0.68
Rot. Bonds8

About N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide

N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 165384416) has the molecular formula C20H31N5O5 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
PubChem CID165384416
Molecular FormulaC20H31N5O5
Molecular Weight421.50 g/mol
Exact Mass421.23
IUPAC NameN-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
SMILESC=CC(=O)N(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)N1CC[C@H](NC(C)=O)C1=O
InChIInChI=1S/C20H31N5O5/c1-5-17(27)25(11-14-6-8-21-18(14)28)23-19(29)16(10-12(2)3)24-9-7-15(20(24)30)22-13(4)26/h5,12,14-16H,1,6-11H2,2-4H3,(H,21,28)(H,22,26)(H,23,29)/t14-,15-,16-/m0/s1
InChIKeyQEKUHJMYFWJVKM-JYJNAYRXSA-N
XLogP-0.68
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide with MolForge

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Related Compounds

1-(1-Prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide
CID 123595429
N-[(3S)-1-[(2S)-1-[2-cyano-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
CID 165384308
2-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
CID 165384321
N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
CID 165384364
N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide
CID 165399325
N-[1-[[1-(diazinan-1-yl)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 166144169
N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-propanoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
CID 167560637

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide (CID 165384416) is N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide is C=CC(=O)N(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)N1CC[C@H](NC(C)=O)C1=O.
What is the InChIKey of N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is QEKUHJMYFWJVKM-JYJNAYRXSA-N. The full InChI is InChI=1S/C20H31N5O5/c1-5-17(27)25(11-14-6-8-21-18(14)28)23-19(29)16(10-12(2)3)24-9-7-15(20(24)30)22-13(4)26/h5,12,14-16H,1,6-11H2,2-4H3,(H,21,28)(H,22,26)(H,23,29)/t14-,15-,16-/m0/s1.
What are the key properties of N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide?
N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 421.50 g/mol, XLogP of -0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 165384416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).