[(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid

C14H23N3O6 — CID 69152376

IUPAC[(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
SMILESCCOC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC(=O)O)C1=O
InChIInChI=1S/C14H23N3O6/c1-2-22-9-11(13(19)16-5-7-23-8-6-16)17-4-3-10(12(17)18)15-14(20)21/h10-11,15H,2-9H2,1H3,(H,20,21)/t10-,11-/m0/s1
InChIKeyBUZMXHVFGUEEBK-QWRGUYRKSA-N
MW329.35 g/mol
LogP-0.88
Rot. Bonds6

About [(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid

[(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid (PubChem CID 69152376) has the molecular formula C14H23N3O6 and a molecular weight of 329.35 g/mol. Its IUPAC name is [(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
PubChem CID69152376
Molecular FormulaC14H23N3O6
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Name[(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
SMILESCCOC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC(=O)O)C1=O
InChIInChI=1S/C14H23N3O6/c1-2-22-9-11(13(19)16-5-7-23-8-6-16)17-4-3-10(12(17)18)15-14(20)21/h10-11,15H,2-9H2,1H3,(H,20,21)/t10-,11-/m0/s1
InChIKeyBUZMXHVFGUEEBK-QWRGUYRKSA-N
XLogP-0.88
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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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Related Compounds

[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 69153919
tert-butyl N-[(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 67554666
[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 69153138
(3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one
CID 58677294
(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one
CID 167012021
tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 86606748
(2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid
CID 58677319
N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 69056359
2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide
CID 58677244
2-[2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-oxoethoxy]acetic acid
CID 113408335
(15S,19S)-17-[(2R)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 11881322
[4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid
CID 174219361

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid (CID 69152376) is [(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid is CCOC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC(=O)O)C1=O.
What is the InChIKey of [(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid?
The InChIKey is BUZMXHVFGUEEBK-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H23N3O6/c1-2-22-9-11(13(19)16-5-7-23-8-6-16)17-4-3-10(12(17)18)15-14(20)21/h10-11,15H,2-9H2,1H3,(H,20,21)/t10-,11-/m0/s1.
What are the key properties of [(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid?
[(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid has a molecular weight of 329.35 g/mol, XLogP of -0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 69152376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).