(2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid

C14H17N3O4S — CID 155457931

IUPAC(2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid
SMILESCC(C)Oc1ccnc2cc(C(=O)NC[C@@H](N)C(=O)O)sc12
InChIInChI=1S/C14H17N3O4S/c1-7(2)21-10-3-4-16-9-5-11(22-12(9)10)13(18)17-6-8(15)14(19)20/h3-5,7-8H,6,15H2,1-2H3,(H,17,18)(H,19,20)/t8-/m1/s1
InChIKeyJYADRHLCOIWTSM-MRVPVSSYSA-N
MW323.37 g/mol
LogP1.23
Rot. Bonds6

About (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid

(2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid (PubChem CID 155457931) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid
PubChem CID155457931
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name(2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid
SMILESCC(C)Oc1ccnc2cc(C(=O)NC[C@@H](N)C(=O)O)sc12
InChIInChI=1S/C14H17N3O4S/c1-7(2)21-10-3-4-16-9-5-11(22-12(9)10)13(18)17-6-8(15)14(19)20/h3-5,7-8H,6,15H2,1-2H3,(H,17,18)(H,19,20)/t8-/m1/s1
InChIKeyJYADRHLCOIWTSM-MRVPVSSYSA-N
XLogP1.23
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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?
The IUPAC name of (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid (CID 155457931) is (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid is CC(C)Oc1ccnc2cc(C(=O)NC[C@@H](N)C(=O)O)sc12.
What is the InChIKey of (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is JYADRHLCOIWTSM-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-7(2)21-10-3-4-16-9-5-11(22-12(9)10)13(18)17-6-8(15)14(19)20/h3-5,7-8H,6,15H2,1-2H3,(H,17,18)(H,19,20)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid?
(2R)-2-amino-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 323.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 155457931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).