N-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide

C17H26N4O5 — CID 90368622

IUPACN-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide
SMILESCC1C[C@H](NC(=O)N2CCOCC2)C(=O)N1[C@H](C=O)CC1CCNC1=O
InChIInChI=1S/C17H26N4O5/c1-11-8-14(19-17(25)20-4-6-26-7-5-20)16(24)21(11)13(10-22)9-12-2-3-18-15(12)23/h10-14H,2-9H2,1H3,(H,18,23)(H,19,25)/t11?,12?,13-,14-/m0/s1
InChIKeyUPCSUBOPQYNIEQ-HOAMVYINSA-N
MW366.42 g/mol
LogP-0.89
Rot. Bonds5

About N-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide

N-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide (PubChem CID 90368622) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide
PubChem CID90368622
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC NameN-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide
SMILESCC1C[C@H](NC(=O)N2CCOCC2)C(=O)N1[C@H](C=O)CC1CCNC1=O
InChIInChI=1S/C17H26N4O5/c1-11-8-14(19-17(25)20-4-6-26-7-5-20)16(24)21(11)13(10-22)9-12-2-3-18-15(12)23/h10-14H,2-9H2,1H3,(H,18,23)(H,19,25)/t11?,12?,13-,14-/m0/s1
InChIKeyUPCSUBOPQYNIEQ-HOAMVYINSA-N
XLogP-0.89
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide (CID 90368622) is N-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide is CC1C[C@H](NC(=O)N2CCOCC2)C(=O)N1[C@H](C=O)CC1CCNC1=O.
What is the InChIKey of N-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide?
The InChIKey is UPCSUBOPQYNIEQ-HOAMVYINSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-11-8-14(19-17(25)20-4-6-26-7-5-20)16(24)21(11)13(10-22)9-12-2-3-18-15(12)23/h10-14H,2-9H2,1H3,(H,18,23)(H,19,25)/t11?,12?,13-,14-/m0/s1.
What are the key properties of N-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide?
N-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of -0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-methyl-2-oxo-1-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]pyrrolidin-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 90368622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).