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

C20H33N5O5 — CID 167560637

IUPACN-[(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
SMILESCCC(=O)N(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)N1CC[C@H](NC(C)=O)C1=O
InChIInChI=1S/C20H33N5O5/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/h12,14-16H,5-11H2,1-4H3,(H,21,28)(H,22,26)(H,23,29)/t14-,15-,16-/m0/s1
InChIKeyNAWFIIQLHIDFMH-JYJNAYRXSA-N
MW423.51 g/mol
LogP-0.46
Rot. Bonds8

About 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

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 (PubChem CID 167560637) has the molecular formula C20H33N5O5 and a molecular weight of 423.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID167560637
Molecular FormulaC20H33N5O5
Molecular Weight423.51 g/mol
Exact Mass423.25
IUPAC NameN-[(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
SMILESCCC(=O)N(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)N1CC[C@H](NC(C)=O)C1=O
InChIInChI=1S/C20H33N5O5/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/h12,14-16H,5-11H2,1-4H3,(H,21,28)(H,22,26)(H,23,29)/t14-,15-,16-/m0/s1
InChIKeyNAWFIIQLHIDFMH-JYJNAYRXSA-N
XLogP-0.46
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-propanoylhydrazinyl]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-propanoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide (CID 167560637) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(=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-propanoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is NAWFIIQLHIDFMH-JYJNAYRXSA-N. The full InChI is InChI=1S/C20H33N5O5/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/h12,14-16H,5-11H2,1-4H3,(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-propanoylhydrazinyl]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-propanoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 423.51 g/mol, XLogP of -0.46, 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-propanoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 167560637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).