(3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

C13H18N4O3 — CID 9364868

IUPAC(3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@H](C(=O)N(CC#N)CC#N)CC1=O
InChIInChI=1S/C13H18N4O3/c1-10(9-20-2)17-8-11(7-12(17)18)13(19)16(5-3-14)6-4-15/h10-11H,5-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyOYNDRLCVZVJSMW-GHMZBOCLSA-N
MW278.31 g/mol
LogP-0.25
Rot. Bonds6

About (3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9364868) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9364868
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name(3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@H](C(=O)N(CC#N)CC#N)CC1=O
InChIInChI=1S/C13H18N4O3/c1-10(9-20-2)17-8-11(7-12(17)18)13(19)16(5-3-14)6-4-15/h10-11H,5-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyOYNDRLCVZVJSMW-GHMZBOCLSA-N
XLogP-0.25
TPSA97.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 78860212
1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 131946273
N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide
CID 59535639
1-(1-Methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde
CID 89260093
4-methoxy-N-methyl-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 156334701
N-(oxetan-3-yl)-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 156336530
4-methoxy-N-methyl-1-(2-methylpropanoyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 156350519
N,1-dimethyl-N-(oxetan-3-yl)pyrrolidine-3-carboxamide
CID 156736992
4-[[2-Methoxyethyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one
CID 167168293
(3R)-1-tert-butyl-N,N-bis(cyanomethyl)-5-oxopyrrolidine-3-carboxamide
CID 9352287
(3S)-1-tert-butyl-N,N-bis(cyanomethyl)-5-oxopyrrolidine-3-carboxamide
CID 9352289
(3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364839

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 9364868) is (3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is COC[C@@H](C)N1C[C@H](C(=O)N(CC#N)CC#N)CC1=O.
What is the InChIKey of (3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OYNDRLCVZVJSMW-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-10(9-20-2)17-8-11(7-12(17)18)13(19)16(5-3-14)6-4-15/h10-11H,5-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9364868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).