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

C17H29N5O4 — CID 165384321

IUPAC2-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
SMILESCC(C)C[C@@H](C(=O)NNC[C@@H]1CCNC1=O)N1CC[C@@H](CC(N)=O)C1=O
InChIInChI=1S/C17H29N5O4/c1-10(2)7-13(22-6-4-11(17(22)26)8-14(18)23)16(25)21-20-9-12-3-5-19-15(12)24/h10-13,20H,3-9H2,1-2H3,(H2,18,23)(H,19,24)(H,21,25)/t11-,12-,13-/m0/s1
InChIKeyXKZZSSNABZMCFR-AVGNSLFASA-N
MW367.45 g/mol
LogP-1.12
Rot. Bonds9

About 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

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 (PubChem CID 165384321) has the molecular formula C17H29N5O4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
PubChem CID165384321
Molecular FormulaC17H29N5O4
Molecular Weight367.45 g/mol
Exact Mass367.22
IUPAC Name2-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
SMILESCC(C)C[C@@H](C(=O)NNC[C@@H]1CCNC1=O)N1CC[C@@H](CC(N)=O)C1=O
InChIInChI=1S/C17H29N5O4/c1-10(2)7-13(22-6-4-11(17(22)26)8-14(18)23)16(25)21-20-9-12-3-5-19-15(12)24/h10-13,20H,3-9H2,1-2H3,(H2,18,23)(H,19,24)(H,21,25)/t11-,12-,13-/m0/s1
InChIKeyXKZZSSNABZMCFR-AVGNSLFASA-N
XLogP-1.12
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C[C@@H](C(=O)NNC[C@@H]1CCNC1=O)N1CC[C@@H](CC(N)=O)C1=O.
What is the InChIKey of 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?
The InChIKey is XKZZSSNABZMCFR-AVGNSLFASA-N. The full InChI is InChI=1S/C17H29N5O4/c1-10(2)7-13(22-6-4-11(17(22)26)8-14(18)23)16(25)21-20-9-12-3-5-19-15(12)24/h10-13,20H,3-9H2,1-2H3,(H2,18,23)(H,19,24)(H,21,25)/t11-,12-,13-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 367.45 g/mol, XLogP of -1.12, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165384321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).