[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid

C14H23N3O6 — CID 69153138

IUPAC[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
SMILESCO[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC(=O)O)C1=O
InChIInChI=1S/C14H23N3O6/c1-9(22-2)11(13(19)16-5-7-23-8-6-16)17-4-3-10(12(17)18)15-14(20)21/h9-11,15H,3-8H2,1-2H3,(H,20,21)/t9-,10+,11+/m1/s1
InChIKeyYSNZUJIXZJOZKL-VWYCJHECSA-N
MW329.35 g/mol
LogP-0.88
Rot. Bonds5

About [(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid

[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid (PubChem CID 69153138) has the molecular formula C14H23N3O6 and a molecular weight of 329.35 g/mol. Its IUPAC name is [(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
PubChem CID69153138
Molecular FormulaC14H23N3O6
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Name[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
SMILESCO[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC(=O)O)C1=O
InChIInChI=1S/C14H23N3O6/c1-9(22-2)11(13(19)16-5-7-23-8-6-16)17-4-3-10(12(17)18)15-14(20)21/h9-11,15H,3-8H2,1-2H3,(H,20,21)/t9-,10+,11+/m1/s1
InChIKeyYSNZUJIXZJOZKL-VWYCJHECSA-N
XLogP-0.88
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 135291697
(4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 135291715
(2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride
CID 120932600
(2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide
CID 120932601
methyl N-[(3S,7S,8aS)-3-[(1R)-1-hydroxyethyl]-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]carbamate
CID 126461169
2-(1-Methoxyethyl)-3-oxopiperazine-1-carboxylic acid
CID 17985198
5-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one
CID 57781806
tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 58677238
N-[(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide
CID 58677255
methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 58677259
(3S)-3-amino-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrolidin-2-one
CID 58677280
(2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid
CID 58677319

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid (CID 69153138) is [(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid is CO[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC(=O)O)C1=O.
What is the InChIKey of [(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid?
The InChIKey is YSNZUJIXZJOZKL-VWYCJHECSA-N. The full InChI is InChI=1S/C14H23N3O6/c1-9(22-2)11(13(19)16-5-7-23-8-6-16)17-4-3-10(12(17)18)15-14(20)21/h9-11,15H,3-8H2,1-2H3,(H,20,21)/t9-,10+,11+/m1/s1.
What are the key properties of [(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid?
[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid has a molecular weight of 329.35 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 69153138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).