N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide

C10H14N4O3 — CID 167482163

IUPACN-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide
SMILESN#CC(CC1CCNC1=O)NC(=O)CNC=O
InChIInChI=1S/C10H14N4O3/c11-4-8(14-9(16)5-12-6-15)3-7-1-2-13-10(7)17/h6-8H,1-3,5H2,(H,12,15)(H,13,17)(H,14,16)
InChIKeyPTFFZAGAHKJNCG-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.73
Rot. Bonds6

About N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide

N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide (PubChem CID 167482163) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide.

Molecular Properties

Compound NameN-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide
PubChem CID167482163
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide
SMILESN#CC(CC1CCNC1=O)NC(=O)CNC=O
InChIInChI=1S/C10H14N4O3/c11-4-8(14-9(16)5-12-6-15)3-7-1-2-13-10(7)17/h6-8H,1-3,5H2,(H,12,15)(H,13,17)(H,14,16)
InChIKeyPTFFZAGAHKJNCG-UHFFFAOYSA-N
XLogP-1.73
TPSA111.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane
CID 164544295
N-[2-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-2-oxoethyl]-3-(3,5-difluorophenyl)propanamide;propane
CID 171530334
(2S)-N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-3,3-dimethyl-2-(methylamino)butanamide
CID 166975891
acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane
CID 162681991
N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 175928487
[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 175458558
N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-5-hydroxypentanamide;2-methylpropane;molecular hydrogen
CID 164544281
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 162396392
(2S,4R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 163283357
[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate
CID 175304766
(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanenitrile;methanesulfonic acid
CID 163323580
N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide
CID 167455793

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide?
The IUPAC name of N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide (CID 167482163) is N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide.
What is the SMILES notation for N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide?
The canonical SMILES for N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide is N#CC(CC1CCNC1=O)NC(=O)CNC=O.
What is the InChIKey of N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide?
The InChIKey is PTFFZAGAHKJNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-4-8(14-9(16)5-12-6-15)3-7-1-2-13-10(7)17/h6-8H,1-3,5H2,(H,12,15)(H,13,17)(H,14,16).
What are the key properties of N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide?
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide has a molecular weight of 238.25 g/mol, XLogP of -1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide is sourced from PubChem (CID 167482163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).