N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide

C14H20N4O2 — CID 175928487

IUPACN-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide
SMILESN#C[C@H](C[C@@H]1CCNC1=O)NC(=O)C1CC2(CC2)CN1
InChIInChI=1S/C14H20N4O2/c15-7-10(5-9-1-4-16-12(9)19)18-13(20)11-6-14(2-3-14)8-17-11/h9-11,17H,1-6,8H2,(H,16,19)(H,18,20)/t9-,10-,11?/m0/s1
InChIKeyOSOIDOUSGUSGKG-QRHSGQBVSA-N
MW276.34 g/mol
LogP-0.34
Rot. Bonds4

About N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide

N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide (PubChem CID 175928487) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide
PubChem CID175928487
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide
SMILESN#C[C@H](C[C@@H]1CCNC1=O)NC(=O)C1CC2(CC2)CN1
InChIInChI=1S/C14H20N4O2/c15-7-10(5-9-1-4-16-12(9)19)18-13(20)11-6-14(2-3-14)8-17-11/h9-11,17H,1-6,8H2,(H,16,19)(H,18,20)/t9-,10-,11?/m0/s1
InChIKeyOSOIDOUSGUSGKG-QRHSGQBVSA-N
XLogP-0.34
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 163283357
N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 171108458
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide
CID 167482163
(2S)-N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-3,3-dimethyl-2-(methylamino)butanamide
CID 166975891
(7S)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide
CID 166936838
(8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-7-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-7-azadispiro[3.0.45.14]decane-8-carboxamide
CID 170167675
(7S)-N-[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
CID 166745023
N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4,4-dimethylpiperidine-2-carboxamide
CID 164701736
[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 175458558
(1R,3S,4S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[(2S)-2-spiro[3.5]nonan-7-yl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 169283826
(1R,2S,5S)-3-(2-aminopropanoyl)-N-[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 170164555
(7R)-6-(6-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-6-azaspiro[3.4]octane-7-carboxamide
CID 166611620

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The IUPAC name of N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide (CID 175928487) is N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The canonical SMILES for N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide is N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)C1CC2(CC2)CN1.
What is the InChIKey of N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The InChIKey is OSOIDOUSGUSGKG-QRHSGQBVSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-7-10(5-9-1-4-16-12(9)19)18-13(20)11-6-14(2-3-14)8-17-11/h9-11,17H,1-6,8H2,(H,16,19)(H,18,20)/t9-,10-,11?/m0/s1.
What are the key properties of N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide?
N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide has a molecular weight of 276.34 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide is sourced from PubChem (CID 175928487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).