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

C18H30N4O5 — CID 56675811

IUPACN-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C=O)CC1CCNC1=O
InChIInChI=1S/C18H30N4O5/c1-12(2)9-15(21-18(26)22-5-7-27-8-6-22)17(25)20-14(11-23)10-13-3-4-19-16(13)24/h11-15H,3-10H2,1-2H3,(H,19,24)(H,20,25)(H,21,26)/t13?,14-,15-/m0/s1
InChIKeyTVQWXBHTLUACAG-FGRDXJNISA-N
MW382.46 g/mol
LogP-0.35
Rot. Bonds8

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

N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide (PubChem CID 56675811) has the molecular formula C18H30N4O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide
PubChem CID56675811
Molecular FormulaC18H30N4O5
Molecular Weight382.46 g/mol
Exact Mass382.22
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C=O)CC1CCNC1=O
InChIInChI=1S/C18H30N4O5/c1-12(2)9-15(21-18(26)22-5-7-27-8-6-22)17(25)20-14(11-23)10-13-3-4-19-16(13)24/h11-15H,3-10H2,1-2H3,(H,19,24)(H,20,25)(H,21,26)/t13?,14-,15-/m0/s1
InChIKeyTVQWXBHTLUACAG-FGRDXJNISA-N
XLogP-0.35
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[[4-(ethylamino)-4-oxobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 44330977
2-methyl-3-(morpholine-4-carbonyl)-N-propan-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91923418
2-methyl-3-(morpholinocarbonyl)-N-propyl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91923419
2-Methyl-N-(2-methylpropyl)-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91923422
4-[(N-acetylprolyl)leucyl]morpholine
CID 145997598
morpholinocarbonyl-Chg-Pro-NHcPent
CID 53361861
N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide
CID 57672834
morpholinocarbonyl-DL-Leu-DL-Ala(2-oxopyrrolidin-3-yl)(2-oxopyrrolidin-3-yl)-al
CID 76392821
morpholinocarbonyl-Leu-Ala(2-oxopyrrolidin-3-yl)-OMe
CID 89483718
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
2-[[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide
CID 90965273
N-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide
CID 91100856

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide (CID 56675811) is N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide is CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C=O)CC1CCNC1=O.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide?
The InChIKey is TVQWXBHTLUACAG-FGRDXJNISA-N. The full InChI is InChI=1S/C18H30N4O5/c1-12(2)9-15(21-18(26)22-5-7-27-8-6-22)17(25)20-14(11-23)10-13-3-4-19-16(13)24/h11-15H,3-10H2,1-2H3,(H,19,24)(H,20,25)(H,21,26)/t13?,14-,15-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide?
N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of -0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 56675811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).