[(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate

C16H25N5O5 — CID 97019233

IUPAC[(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate
SMILESC[C@@H](OC(=O)c1cn(CC(N)=O)nn1)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H25N5O5/c1-10(12-6-5-7-21(12)15(24)26-16(2,3)4)25-14(23)11-8-20(19-18-11)9-13(17)22/h8,10,12H,5-7,9H2,1-4H3,(H2,17,22)/t10-,12-/m1/s1
InChIKeyDNUHTENKGVPVEK-ZYHUDNBSSA-N
MW367.41 g/mol
LogP0.71
Rot. Bonds5

About [(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate

[(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate (PubChem CID 97019233) has the molecular formula C16H25N5O5 and a molecular weight of 367.41 g/mol. Its IUPAC name is [(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate.

Molecular Properties

Compound Name[(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate
PubChem CID97019233
Molecular FormulaC16H25N5O5
Molecular Weight367.41 g/mol
Exact Mass367.19
IUPAC Name[(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate
SMILESC[C@@H](OC(=O)c1cn(CC(N)=O)nn1)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H25N5O5/c1-10(12-6-5-7-21(12)15(24)26-16(2,3)4)25-14(23)11-8-20(19-18-11)9-13(17)22/h8,10,12H,5-7,9H2,1-4H3,(H2,17,22)/t10-,12-/m1/s1
InChIKeyDNUHTENKGVPVEK-ZYHUDNBSSA-N
XLogP0.71
TPSA129.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl (2R)-2-[(4-carbamoyltriazol-1-yl)methyl]pyrrolidine-1-carboxylate
CID 97184474
tert-butyl (2R)-2-[2-(4-ethoxycarbonyltriazol-1-yl)ethyl]piperidine-1-carboxylate
CID 95735559
tert-butyl 2-[2-(4-ethoxycarbonyltriazol-1-yl)ethyl]piperidine-1-carboxylate
CID 66523397
tert-butyl (2S)-2-[2-(4-ethoxycarbonyltriazol-1-yl)ethyl]piperidine-1-carboxylate
CID 95735558
tert-butyl (2S)-2-[[4-(methylcarbamoyl)triazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 97184481
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566963
tert-butyl 2-(2-amino-1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 83487205
tert-butyl (2S)-2-[(1S)-1-[4-[(Z)-N'-hydroxycarbamimidoyl]pyrimidin-2-yl]oxyethyl]pyrrolidine-1-carboxylate
CID 177290826
tert-butyl (2R)-2-[(4-formyltriazol-1-yl)methyl]pyrrolidine-1-carboxylate
CID 129493782
tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 129403343
tert-butyl (2S)-2-[(1R,2R)-1-methoxy-3-[[(2S)-1-methoxy-3-[4-(4-methylphenyl)triazol-1-yl]-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
CID 171390889
tert-butyl 2-(dihydroxymethyl)piperidine-1-carboxylate
CID 140989424

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate?
The IUPAC name of [(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate (CID 97019233) is [(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate.
What is the SMILES notation for [(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate?
The canonical SMILES for [(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate is C[C@@H](OC(=O)c1cn(CC(N)=O)nn1)[C@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of [(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate?
The InChIKey is DNUHTENKGVPVEK-ZYHUDNBSSA-N. The full InChI is InChI=1S/C16H25N5O5/c1-10(12-6-5-7-21(12)15(24)26-16(2,3)4)25-14(23)11-8-20(19-18-11)9-13(17)22/h8,10,12H,5-7,9H2,1-4H3,(H2,17,22)/t10-,12-/m1/s1.
What are the key properties of [(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate?
[(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl] 1-(2-amino-2-oxoethyl)triazole-4-carboxylate is sourced from PubChem (CID 97019233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).