(2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide

C13H19N3O3 — CID 128983796

IUPAC(2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2c(C)ccn2C)C1
InChIInChI=1S/C13H19N3O3/c1-8-4-5-15(2)11(8)13(18)16-7-9(19-3)6-10(16)12(14)17/h4-5,9-10H,6-7H2,1-3H3,(H2,14,17)/t9-,10-/m0/s1
InChIKeySGHLLJYPBKARTA-UWVGGRQHSA-N
MW265.31 g/mol
LogP0.05
Rot. Bonds3

About (2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128983796) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID128983796
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2c(C)ccn2C)C1
InChIInChI=1S/C13H19N3O3/c1-8-4-5-15(2)11(8)13(18)16-7-9(19-3)6-10(16)12(14)17/h4-5,9-10H,6-7H2,1-3H3,(H2,14,17)/t9-,10-/m0/s1
InChIKeySGHLLJYPBKARTA-UWVGGRQHSA-N
XLogP0.05
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 128984241
(2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983763
(2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983700
(2S,4S)-1-(3-bromo-4-fluorobenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128984131
(2S,4S)-1-(2-chloro-4-fluorobenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983598
(2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983612
(2S,4S)-4-methoxy-1-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]pyrrolidine-2-carboxamide
CID 128983730
(2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide
CID 122132866
(2S,4S)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxamide
CID 128990410
(2S,4S)-1-(5-bromopyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983596
4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 24694266
(2S,4S)-1-[3-fluoro-5-(trifluoromethyl)benzoyl]-4-methoxypyrrolidine-2-carboxamide
CID 128983742

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide (CID 128983796) is (2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2c(C)ccn2C)C1.
What is the InChIKey of (2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is SGHLLJYPBKARTA-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-4-5-15(2)11(8)13(18)16-7-9(19-3)6-10(16)12(14)17/h4-5,9-10H,6-7H2,1-3H3,(H2,14,17)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128983796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).