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

C19H19N3O3S — CID 155457932

IUPAC(2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
SMILESCCc1ccccc1-c1ccnc2cc(C(=O)NC[C@@H](N)C(=O)O)sc12
InChIInChI=1S/C19H19N3O3S/c1-2-11-5-3-4-6-12(11)13-7-8-21-15-9-16(26-17(13)15)18(23)22-10-14(20)19(24)25/h3-9,14H,2,10,20H2,1H3,(H,22,23)(H,24,25)/t14-/m1/s1
InChIKeyVNHKOOQWCIGIAM-CQSZACIVSA-N
MW369.45 g/mol
LogP2.67
Rot. Bonds6

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

(2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 155457932) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
PubChem CID155457932
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
SMILESCCc1ccccc1-c1ccnc2cc(C(=O)NC[C@@H](N)C(=O)O)sc12
InChIInChI=1S/C19H19N3O3S/c1-2-11-5-3-4-6-12(11)13-7-8-21-15-9-16(26-17(13)15)18(23)22-10-14(20)19(24)25/h3-9,14H,2,10,20H2,1H3,(H,22,23)(H,24,25)/t14-/m1/s1
InChIKeyVNHKOOQWCIGIAM-CQSZACIVSA-N
XLogP2.67
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid (CID 155457932) is (2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid is CCc1ccccc1-c1ccnc2cc(C(=O)NC[C@@H](N)C(=O)O)sc12.
What is the InChIKey of (2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is VNHKOOQWCIGIAM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-11-5-3-4-6-12(11)13-7-8-21-15-9-16(26-17(13)15)18(23)22-10-14(20)19(24)25/h3-9,14H,2,10,20H2,1H3,(H,22,23)(H,24,25)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
(2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 369.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 155457932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).