2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid

C20H19N3O3S — CID 71333823

IUPAC2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid
SMILESCc1c2ccncc2c(C)c2c1[nH]c1ccc(O)c(SCC(N)C(=O)O)c12
InChIInChI=1S/C20H19N3O3S/c1-9-12-7-22-6-5-11(12)10(2)18-16(9)17-14(23-18)3-4-15(24)19(17)27-8-13(21)20(25)26/h3-7,13,23-24H,8,21H2,1-2H3,(H,25,26)
InChIKeyUNRYRWHKQJBQIX-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.70
Rot. Bonds4

About 2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid

2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid (PubChem CID 71333823) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid
PubChem CID71333823
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid
SMILESCc1c2ccncc2c(C)c2c1[nH]c1ccc(O)c(SCC(N)C(=O)O)c12
InChIInChI=1S/C20H19N3O3S/c1-9-12-7-22-6-5-11(12)10(2)18-16(9)17-14(23-18)3-4-15(24)19(17)27-8-13(21)20(25)26/h3-7,13,23-24H,8,21H2,1-2H3,(H,25,26)
InChIKeyUNRYRWHKQJBQIX-UHFFFAOYSA-N
XLogP3.70
TPSA112.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid?
The IUPAC name of 2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid (CID 71333823) is 2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid?
The canonical SMILES for 2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid is Cc1c2ccncc2c(C)c2c1[nH]c1ccc(O)c(SCC(N)C(=O)O)c12.
What is the InChIKey of 2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid?
The InChIKey is UNRYRWHKQJBQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-9-12-7-22-6-5-11(12)10(2)18-16(9)17-14(23-18)3-4-15(24)19(17)27-8-13(21)20(25)26/h3-7,13,23-24H,8,21H2,1-2H3,(H,25,26).
What are the key properties of 2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid?
2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid has a molecular weight of 381.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 71333823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).