6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid

C19H22N4O4 — CID 118931388

IUPAC6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid
SMILESC[C@H]1CN(c2ccccn2)CCN1C(=O)c1cc(C(=O)O)c2n1CCOC2
InChIInChI=1S/C19H22N4O4/c1-13-11-21(17-4-2-3-5-20-17)6-7-22(13)18(24)15-10-14(19(25)26)16-12-27-9-8-23(15)16/h2-5,10,13H,6-9,11-12H2,1H3,(H,25,26)/t13-/m0/s1
InChIKeyAWFFPTDHZUYLCV-ZDUSSCGKSA-N
MW370.41 g/mol
LogP1.46
Rot. Bonds3

About 6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid

6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid (PubChem CID 118931388) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid.

Molecular Properties

Compound Name6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid
PubChem CID118931388
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid
SMILESC[C@H]1CN(c2ccccn2)CCN1C(=O)c1cc(C(=O)O)c2n1CCOC2
InChIInChI=1S/C19H22N4O4/c1-13-11-21(17-4-2-3-5-20-17)6-7-22(13)18(24)15-10-14(19(25)26)16-12-27-9-8-23(15)16/h2-5,10,13H,6-9,11-12H2,1H3,(H,25,26)/t13-/m0/s1
InChIKeyAWFFPTDHZUYLCV-ZDUSSCGKSA-N
XLogP1.46
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid?
The IUPAC name of 6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid (CID 118931388) is 6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid.
What is the SMILES notation for 6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid?
The canonical SMILES for 6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid is C[C@H]1CN(c2ccccn2)CCN1C(=O)c1cc(C(=O)O)c2n1CCOC2.
What is the InChIKey of 6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid?
The InChIKey is AWFFPTDHZUYLCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-13-11-21(17-4-2-3-5-20-17)6-7-22(13)18(24)15-10-14(19(25)26)16-12-27-9-8-23(15)16/h2-5,10,13H,6-9,11-12H2,1H3,(H,25,26)/t13-/m0/s1.
What are the key properties of 6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid?
6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid is sourced from PubChem (CID 118931388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).