(2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide

C13H21N3O2 — CID 128985002

IUPAC(2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)NCCn2cccc2)N(C)C1
InChIInChI=1S/C13H21N3O2/c1-15-10-11(18-2)9-12(15)13(17)14-5-8-16-6-3-4-7-16/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,14,17)/t11-,12-/m0/s1
InChIKeyWWQQQWBKSVMFIN-RYUDHWBXSA-N
MW251.33 g/mol
LogP0.32
Rot. Bonds5

About (2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 128985002) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide
PubChem CID128985002
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)NCCn2cccc2)N(C)C1
InChIInChI=1S/C13H21N3O2/c1-15-10-11(18-2)9-12(15)13(17)14-5-8-16-6-3-4-7-16/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,14,17)/t11-,12-/m0/s1
InChIKeyWWQQQWBKSVMFIN-RYUDHWBXSA-N
XLogP0.32
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide (CID 128985002) is (2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)NCCn2cccc2)N(C)C1.
What is the InChIKey of (2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is WWQQQWBKSVMFIN-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15-10-11(18-2)9-12(15)13(17)14-5-8-16-6-3-4-7-16/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,14,17)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 128985002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).