(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide

C11H17N5O3 — CID 9364836

IUPAC(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@H](C(=O)Nn2cnnc2)CC1=O
InChIInChI=1S/C11H17N5O3/c1-8(5-19-2)16-4-9(3-10(16)17)11(18)14-15-6-12-13-7-15/h6-9H,3-5H2,1-2H3,(H,14,18)/t8-,9-/m1/s1
InChIKeyFMACDPOMZHZGIB-RKDXNWHRSA-N
MW267.29 g/mol
LogP-0.77
Rot. Bonds5

About (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide

(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 9364836) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID9364836
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@H](C(=O)Nn2cnnc2)CC1=O
InChIInChI=1S/C11H17N5O3/c1-8(5-19-2)16-4-9(3-10(16)17)11(18)14-15-6-12-13-7-15/h6-9H,3-5H2,1-2H3,(H,14,18)/t8-,9-/m1/s1
InChIKeyFMACDPOMZHZGIB-RKDXNWHRSA-N
XLogP-0.77
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 9365269
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9365235
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904
(3S)-N-(2-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365109
(3S)-N-(2-chlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365110
(3R)-N-(3,5-dimethylphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449876
(3R)-N-benzyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365043
(3R)-N-(2,3-dichlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365195
(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 9365356
dimethyl 5-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 9364912
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 9373685
(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9365066

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide (CID 9364836) is (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide is COC[C@@H](C)N1C[C@H](C(=O)Nn2cnnc2)CC1=O.
What is the InChIKey of (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is FMACDPOMZHZGIB-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-8(5-19-2)16-4-9(3-10(16)17)11(18)14-15-6-12-13-7-15/h6-9H,3-5H2,1-2H3,(H,14,18)/t8-,9-/m1/s1.
What are the key properties of (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide?
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 9364836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).