(2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide

C8H12N6O2 — CID 155074064

IUPAC(2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1nn[nH]n1
InChIInChI=1S/C8H12N6O2/c1-4(7-11-13-14-12-7)9-8(16)5-2-3-6(15)10-5/h4-5H,2-3H2,1H3,(H,9,16)(H,10,15)(H,11,12,13,14)/t4-,5-/m0/s1
InChIKeyKIMPMTIBKAONOX-WHFBIAKZSA-N
MW224.22 g/mol
LogP-1.34
Rot. Bonds3

About (2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 155074064) has the molecular formula C8H12N6O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is (2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID155074064
Molecular FormulaC8H12N6O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name(2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1nn[nH]n1
InChIInChI=1S/C8H12N6O2/c1-4(7-11-13-14-12-7)9-8(16)5-2-3-6(15)10-5/h4-5H,2-3H2,1H3,(H,9,16)(H,10,15)(H,11,12,13,14)/t4-,5-/m0/s1
InChIKeyKIMPMTIBKAONOX-WHFBIAKZSA-N
XLogP-1.34
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 66477311
(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 101002831
(2R)-N-[(2R)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 104872886
N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 130609699
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 131841435
N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide
CID 79155725
4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104769141
(2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide
CID 103709621
5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 110743910
N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 43500469

Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide (CID 155074064) is (2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide is C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1nn[nH]n1.
What is the InChIKey of (2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is KIMPMTIBKAONOX-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H12N6O2/c1-4(7-11-13-14-12-7)9-8(16)5-2-3-6(15)10-5/h4-5H,2-3H2,1H3,(H,9,16)(H,10,15)(H,11,12,13,14)/t4-,5-/m0/s1.
What are the key properties of (2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 224.22 g/mol, XLogP of -1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155074064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).