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

C71H72ClN9O14S5 — CID 162153373

IUPAC(2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid
SMILESCC(C)Oc1ccnc2cc(C(=O)NC[C@@H](N)C(=O)O)sc12.CC(C)Oc1ccnc2cc(C(=O)NC[C@@H](NC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)sc12.CC(C)Oc1ccnc2cc(C(=O)O)sc12.CC(C)Oc1ccnc2ccsc12.Clc1ccnc2ccsc12
InChIInChI=1S/C29H29N3O6S.C14H17N3O4S.C11H11NO3S.C10H11NOS.C7H4ClNS/c1-19(2)38-24-13-14-30-22-15-25(39-26(22)24)27(33)31-16-23(28(34)36-17-20-9-5-3-6-10-20)32-29(35)37-18-21-11-7-4-8-12-21;1-7(2)21-10-3-4-16-9-5-11(22-12(9)10)13(18)17-6-8(15)14(19)20;1-6(2)15-8-3-4-12-7-5-9(11(13)14)16-10(7)8;1-7(2)12-9-3-5-11-8-4-6-13-10(8)9;8-5-1-3-9-6-2-4-10-7(5)6/h3-15,19,23H,16-18H2,1-2H3,(H,31,33)(H,32,35);3-5,7-8H,6,15H2,1-2H3,(H,17,18)(H,19,20);3-6H,1-2H3,(H,13,14);3-7H,1-2H3;1-4H/t23-;8-;;;/m11.../s1
InChIKeyZLMUTPNDRKAHTH-SWJLFZLXSA-N
MW1471.19 g/mol
LogP14.89
Rot. Bonds22

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

(2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 162153373) has the molecular formula C71H72ClN9O14S5 and a molecular weight of 1471.19 g/mol. Its IUPAC name is (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID162153373
Molecular FormulaC71H72ClN9O14S5
Molecular Weight1471.19 g/mol
Exact Mass1469.35
IUPAC Name(2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid
SMILESCC(C)Oc1ccnc2cc(C(=O)NC[C@@H](N)C(=O)O)sc12.CC(C)Oc1ccnc2cc(C(=O)NC[C@@H](NC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)sc12.CC(C)Oc1ccnc2cc(C(=O)O)sc12.CC(C)Oc1ccnc2ccsc12.Clc1ccnc2ccsc12
InChIInChI=1S/C29H29N3O6S.C14H17N3O4S.C11H11NO3S.C10H11NOS.C7H4ClNS/c1-19(2)38-24-13-14-30-22-15-25(39-26(22)24)27(33)31-16-23(28(34)36-17-20-9-5-3-6-10-20)32-29(35)37-18-21-11-7-4-8-12-21;1-7(2)21-10-3-4-16-9-5-11(22-12(9)10)13(18)17-6-8(15)14(19)20;1-6(2)15-8-3-4-12-7-5-9(11(13)14)16-10(7)8;1-7(2)12-9-3-5-11-8-4-6-13-10(8)9;8-5-1-3-9-6-2-4-10-7(5)6/h3-15,19,23H,16-18H2,1-2H3,(H,31,33)(H,32,35);3-5,7-8H,6,15H2,1-2H3,(H,17,18)(H,19,20);3-6H,1-2H3,(H,13,14);3-7H,1-2H3;1-4H/t23-;8-;;;/m11.../s1
InChIKeyZLMUTPNDRKAHTH-SWJLFZLXSA-N
XLogP14.89
TPSA324.82 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001471.19
LogP ≤ 514.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid (CID 162153373) is (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid is CC(C)Oc1ccnc2cc(C(=O)NC[C@@H](N)C(=O)O)sc12.CC(C)Oc1ccnc2cc(C(=O)NC[C@@H](NC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)sc12.CC(C)Oc1ccnc2cc(C(=O)O)sc12.CC(C)Oc1ccnc2ccsc12.Clc1ccnc2ccsc12.
What is the InChIKey of (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is ZLMUTPNDRKAHTH-SWJLFZLXSA-N. The full InChI is InChI=1S/C29H29N3O6S.C14H17N3O4S.C11H11NO3S.C10H11NOS.C7H4ClNS/c1-19(2)38-24-13-14-30-22-15-25(39-26(22)24)27(33)31-16-23(28(34)36-17-20-9-5-3-6-10-20)32-29(35)37-18-21-11-7-4-8-12-21;1-7(2)21-10-3-4-16-9-5-11(22-12(9)10)13(18)17-6-8(15)14(19)20;1-6(2)15-8-3-4-12-7-5-9(11(13)14)16-10(7)8;1-7(2)12-9-3-5-11-8-4-6-13-10(8)9;8-5-1-3-9-6-2-4-10-7(5)6/h3-15,19,23H,16-18H2,1-2H3,(H,31,33)(H,32,35);3-5,7-8H,6,15H2,1-2H3,(H,17,18)(H,19,20);3-6H,1-2H3,(H,13,14);3-7H,1-2H3;1-4H/t23-;8-;;;/m11.../s1.
What are the key properties of (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid?
(2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 1471.19 g/mol, XLogP of 14.89, 22 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-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid;benzyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-chlorothieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 162153373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).