3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride

C55H73Cl2N7O19 — CID 158732704

About 3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride

3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride (PubChem CID 158732704) has the molecular formula C55H73Cl2N7O19 and a molecular weight of 1207.12 g/mol. Its IUPAC name is 3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride.

Molecular Properties

• Compound Name: 3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride
• PubChem CID: 158732704
• Molecular Formula: C55H73Cl2N7O19
• Molecular Weight: 1207.12 g/mol
• Exact Mass: 1205.43
• IUPAC Name: 3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride
• SMILES: COC(=O)c1cccn([C@H]2C[C@@H]2OC)c1=O.COC(=O)c1cccoc1=O.CO[C@H]1C[C@@H]1N.CO[C@H]1C[C@@H]1n1cccc(C(=O)O)c1=O.CO[C@H]1C[C@@H]1n1cccc(N)c1=O.CO[C@H]1C[C@@H]1n1cccc(NC(=O)OC(C)(C)C)c1=O.Cl.Cl
• InChI: InChI=1S/C14H20N2O4.C11H13NO4.C10H11NO4.C9H12N2O2.C7H6O4.C4H9NO.2ClH/c1-14(2,3)20-13(18)15-9-6-5-7-16(12(9)17)10-8-11(10)19-4;1-15-9-6-8(9)12-5-3-4-7(10(12)13)11(14)16-2;1-15-8-5-7(8)11-4-2-3-6(9(11)12)10(13)14;1-13-8-5-7(8)11-4-2-3-6(10)9(11)12;1-10-6(8)5-3-2-4-11-7(5)9;1-6-4-2-3(4)5;;/h5-7,10-11H,8H2,1-4H3,(H,15,18);3-5,8-9H,6H2,1-2H3;2-4,7-8H,5H2,1H3,(H,13,14);2-4,7-8H,5,10H2,1H3;2-4H,1H3;3-4H,2,5H2,1H3;2*1H/t10-,11-;8-,9-;2*7-,8-;;3-,4-;;/m0000.0../s1
• InChIKey: ZHNVBYBMGCKHFS-ZRLLPFGSSA-N
• XLogP: 4.65
• TPSA: 344.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1207.12
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride?

The IUPAC name of 3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride (CID 158732704) is 3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride.

What is the SMILES notation for 3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride?

The canonical SMILES for 3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride is COC(=O)c1cccn([C@H]2C[C@@H]2OC)c1=O.COC(=O)c1cccoc1=O.CO[C@H]1C[C@@H]1N.CO[C@H]1C[C@@H]1n1cccc(C(=O)O)c1=O.CO[C@H]1C[C@@H]1n1cccc(N)c1=O.CO[C@H]1C[C@@H]1n1cccc(NC(=O)OC(C)(C)C)c1=O.Cl.Cl.

What is the InChIKey of 3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride?

The InChIKey is ZHNVBYBMGCKHFS-ZRLLPFGSSA-N. The full InChI is InChI=1S/C14H20N2O4.C11H13NO4.C10H11NO4.C9H12N2O2.C7H6O4.C4H9NO.2ClH/c1-14(2,3)20-13(18)15-9-6-5-7-16(12(9)17)10-8-11(10)19-4;1-15-9-6-8(9)12-5-3-4-7(10(12)13)11(14)16-2;1-15-8-5-7(8)11-4-2-3-6(9(11)12)10(13)14;1-13-8-5-7(8)11-4-2-3-6(10)9(11)12;1-10-6(8)5-3-2-4-11-7(5)9;1-6-4-2-3(4)5;;/h5-7,10-11H,8H2,1-4H3,(H,15,18);3-5,8-9H,6H2,1-2H3;2-4,7-8H,5H2,1H3,(H,13,14);2-4,7-8H,5,10H2,1H3;2-4H,1H3;3-4H,2,5H2,1H3;2*1H/t10-,11-;8-,9-;2*7-,8-;;3-,4-;;/m0000.0../s1.

What are the key properties of 3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride?

3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride has a molecular weight of 1207.12 g/mol, XLogP of 4.65, 13 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-[(1S,2S)-2-methoxycyclopropyl]pyridin-2-one;tert-butyl N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate;1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(1S,2S)-2-methoxycyclopropyl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;trans-(1S,2S)-2-methoxycyclopropan-1-amine;dihydrochloride is sourced from PubChem (CID 158732704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).