(2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide

C12H19N3O4 — CID 136581842

IUPAC(2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(C(=O)C2CC(=O)N(C)C2)C1
InChIInChI=1S/C12H19N3O4/c1-14-5-7(3-10(14)16)12(18)15-6-8(19-2)4-9(15)11(13)17/h7-9H,3-6H2,1-2H3,(H2,13,17)/t7?,8-,9-/m0/s1
InChIKeyHKPKXRZPVRSSFR-NPPUSCPJSA-N
MW269.30 g/mol
LogP-1.43
Rot. Bonds3

About (2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 136581842) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID136581842
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(C(=O)C2CC(=O)N(C)C2)C1
InChIInChI=1S/C12H19N3O4/c1-14-5-7(3-10(14)16)12(18)15-6-8(19-2)4-9(15)11(13)17/h7-9H,3-6H2,1-2H3,(H2,13,17)/t7?,8-,9-/m0/s1
InChIKeyHKPKXRZPVRSSFR-NPPUSCPJSA-N
XLogP-1.43
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.43
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-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide (CID 136581842) is (2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(C(=O)C2CC(=O)N(C)C2)C1.
What is the InChIKey of (2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is HKPKXRZPVRSSFR-NPPUSCPJSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-14-5-7(3-10(14)16)12(18)15-6-8(19-2)4-9(15)11(13)17/h7-9H,3-6H2,1-2H3,(H2,13,17)/t7?,8-,9-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of -1.43, 3 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-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 136581842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).