[1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate

C12H18N2O5 — CID 175424255

IUPAC[1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate
SMILESNC(=O)OC(C[C@@H]1CCNC1=O)C(=O)C1CCCO1
InChIInChI=1S/C12H18N2O5/c13-12(17)19-9(6-7-3-4-14-11(7)16)10(15)8-2-1-5-18-8/h7-9H,1-6H2,(H2,13,17)(H,14,16)/t7-,8?,9?/m0/s1
InChIKeyDVFJNQMKQBFFIU-UEJVZZJDSA-N
MW270.29 g/mol
LogP-0.28
Rot. Bonds5

About [1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate

[1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate (PubChem CID 175424255) has the molecular formula C12H18N2O5 and a molecular weight of 270.29 g/mol. Its IUPAC name is [1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate.

Molecular Properties

Compound Name[1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate
PubChem CID175424255
Molecular FormulaC12H18N2O5
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Name[1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate
SMILESNC(=O)OC(C[C@@H]1CCNC1=O)C(=O)C1CCCO1
InChIInChI=1S/C12H18N2O5/c13-12(17)19-9(6-7-3-4-14-11(7)16)10(15)8-2-1-5-18-8/h7-9H,1-6H2,(H2,13,17)(H,14,16)/t7-,8?,9?/m0/s1
InChIKeyDVFJNQMKQBFFIU-UEJVZZJDSA-N
XLogP-0.28
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate
CID 175304766
[3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate
CID 175537571
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
[(2S)-4-[methyl(phenyl)phosphoryl]oxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl] carbamate
CID 175537617
(2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide
CID 166170540
[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate
CID 162478928
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one
CID 57256663
(3S)-3-(2-amino-4-chloro-3-oxobutyl)pyrrolidin-2-one
CID 143139104
3-[(3R)-2-oxopyrrolidin-3-yl]propanamide
CID 167094318
3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
CID 130843908

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate?
The IUPAC name of [1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate (CID 175424255) is [1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate.
What is the SMILES notation for [1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate?
The canonical SMILES for [1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate is NC(=O)OC(C[C@@H]1CCNC1=O)C(=O)C1CCCO1.
What is the InChIKey of [1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate?
The InChIKey is DVFJNQMKQBFFIU-UEJVZZJDSA-N. The full InChI is InChI=1S/C12H18N2O5/c13-12(17)19-9(6-7-3-4-14-11(7)16)10(15)8-2-1-5-18-8/h7-9H,1-6H2,(H2,13,17)(H,14,16)/t7-,8?,9?/m0/s1.
What are the key properties of [1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate?
[1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate has a molecular weight of 270.29 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate is sourced from PubChem (CID 175424255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).