(2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid

C63H56ClN9O14S5 — CID 162053918

About (2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid

(2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 162053918) has the molecular formula C63H56ClN9O14S5 and a molecular weight of 1358.98 g/mol. Its IUPAC name is (2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid
• PubChem CID: 162053918
• Molecular Formula: C63H56ClN9O14S5
• Molecular Weight: 1358.98 g/mol
• Exact Mass: 1357.22
• IUPAC Name: (2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid
• SMILES: COc1ccnc2cc(C(=O)NC[C@@H](N)C(=O)O)sc12.COc1ccnc2cc(C(=O)NC[C@@H](NC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)sc12.COc1ccnc2cc(C(=O)O)sc12.COc1ccnc2ccsc12.Clc1ccnc2ccsc12
• InChI: InChI=1S/C27H25N3O6S.C12H13N3O4S.C9H7NO3S.C8H7NOS.C7H4ClNS/c1-34-22-12-13-28-20-14-23(37-24(20)22)25(31)29-15-21(26(32)35-16-18-8-4-2-5-9-18)30-27(33)36-17-19-10-6-3-7-11-19;1-19-8-2-3-14-7-4-9(20-10(7)8)11(16)15-5-6(13)12(17)18;1-13-6-2-3-10-5-4-7(9(11)12)14-8(5)6;1-10-7-2-4-9-6-3-5-11-8(6)7;8-5-1-3-9-6-2-4-10-7(5)6/h2-14,21H,15-17H2,1H3,(H,29,31)(H,30,33);2-4,6H,5,13H2,1H3,(H,15,16)(H,17,18);2-4H,1H3,(H,11,12);2-5H,1H3;1-4H/t21-;6-;;;/m11.../s1
• InChIKey: YYXOHSBBAMRFNH-CBZNWTKRSA-N
• XLogP: 11.78
• TPSA: 324.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1358.98
LogP ≤ 5	11.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid?

The IUPAC name of (2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid (CID 162053918) is (2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid.

What is the SMILES notation for (2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid?

The canonical SMILES for (2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid is COc1ccnc2cc(C(=O)NC[C@@H](N)C(=O)O)sc12.COc1ccnc2cc(C(=O)NC[C@@H](NC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)sc12.COc1ccnc2cc(C(=O)O)sc12.COc1ccnc2ccsc12.Clc1ccnc2ccsc12.

What is the InChIKey of (2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid?

The InChIKey is YYXOHSBBAMRFNH-CBZNWTKRSA-N. The full InChI is InChI=1S/C27H25N3O6S.C12H13N3O4S.C9H7NO3S.C8H7NOS.C7H4ClNS/c1-34-22-12-13-28-20-14-23(37-24(20)22)25(31)29-15-21(26(32)35-16-18-8-4-2-5-9-18)30-27(33)36-17-19-10-6-3-7-11-19;1-19-8-2-3-14-7-4-9(20-10(7)8)11(16)15-5-6(13)12(17)18;1-13-6-2-3-10-5-4-7(9(11)12)14-8(5)6;1-10-7-2-4-9-6-3-5-11-8(6)7;8-5-1-3-9-6-2-4-10-7(5)6/h2-14,21H,15-17H2,1H3,(H,29,31)(H,30,33);2-4,6H,5,13H2,1H3,(H,15,16)(H,17,18);2-4H,1H3,(H,11,12);2-5H,1H3;1-4H/t21-;6-;;;/m11.../s1.

What are the key properties of (2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid?

(2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 1358.98 g/mol, XLogP of 11.78, 18 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-3-[(7-methoxythieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-chlorothieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine;7-methoxythieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 162053918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).