N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide

C8H11N3O3 — CID 62943423

IUPACN-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide
SMILESN#CCNC(=O)C(=O)N1CCC(O)C1
InChIInChI=1S/C8H11N3O3/c9-2-3-10-7(13)8(14)11-4-1-6(12)5-11/h6,12H,1,3-5H2,(H,10,13)
InChIKeyBCMVITFMIWFXBD-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.78
Rot. Bonds1

About N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide

N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide (PubChem CID 62943423) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide
PubChem CID62943423
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide
SMILESN#CCNC(=O)C(=O)N1CCC(O)C1
InChIInChI=1S/C8H11N3O3/c9-2-3-10-7(13)8(14)11-4-1-6(12)5-11/h6,12H,1,3-5H2,(H,10,13)
InChIKeyBCMVITFMIWFXBD-UHFFFAOYSA-N
XLogP-1.78
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 61242794
1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide
CID 103195511
ethyl 1-[2-(cyanomethylamino)-2-oxoacetyl]piperidine-3-carboxylate
CID 43316014
N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide
CID 102743802
1-(3-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one
CID 91486972
N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 62022097
N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 66291157
3-[(3R)-3-hydroxypyrrolidin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 103719235
3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanenitrile
CID 62943802
N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide
CID 62917262
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 178063015

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide (CID 62943423) is N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide is N#CCNC(=O)C(=O)N1CCC(O)C1.
What is the InChIKey of N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide?
The InChIKey is BCMVITFMIWFXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-2-3-10-7(13)8(14)11-4-1-6(12)5-11/h6,12H,1,3-5H2,(H,10,13).
What are the key properties of N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide?
N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide has a molecular weight of 197.19 g/mol, XLogP of -1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 62943423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).