(3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide

C13H23N5O2 — CID 124846690

IUPAC(3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCOCCN1CC[C@H](C(=O)NCCn2cc(C)nn2)C1
InChIInChI=1S/C13H23N5O2/c1-11-9-18(16-15-11)6-4-14-13(19)12-3-5-17(10-12)7-8-20-2/h9,12H,3-8,10H2,1-2H3,(H,14,19)/t12-/m0/s1
InChIKeyJDNZIHMVWXBNTA-LBPRGKRZSA-N
MW281.36 g/mol
LogP-0.33
Rot. Bonds7

About (3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide

(3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 124846690) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID124846690
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name(3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCOCCN1CC[C@H](C(=O)NCCn2cc(C)nn2)C1
InChIInChI=1S/C13H23N5O2/c1-11-9-18(16-15-11)6-4-14-13(19)12-3-5-17(10-12)7-8-20-2/h9,12H,3-8,10H2,1-2H3,(H,14,19)/t12-/m0/s1
InChIKeyJDNZIHMVWXBNTA-LBPRGKRZSA-N
XLogP-0.33
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 124907126
3-methyl-N-[4-[2-(4-methyltriazol-1-yl)ethylcarbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide
CID 169416855
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 91836659
4-[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 169422397
(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-5-oxomorpholine-2-carboxamide
CID 157019253
1-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 143767660
(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 164629745
1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 26325576
ethane;1-(2-methoxyethyl)-N-methylpiperidine-4-carboxamide
CID 143678079
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 71880041
(3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 95551283
formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 171339603

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide (CID 124846690) is (3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide is COCCN1CC[C@H](C(=O)NCCn2cc(C)nn2)C1.
What is the InChIKey of (3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is JDNZIHMVWXBNTA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-11-9-18(16-15-11)6-4-14-13(19)12-3-5-17(10-12)7-8-20-2/h9,12H,3-8,10H2,1-2H3,(H,14,19)/t12-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
(3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of -0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124846690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).