(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid

C17H15N3O4 — CID 70683698

IUPAC(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ncccc1O
InChIInChI=1S/C17H15N3O4/c21-14-6-3-7-18-15(14)16(22)20-13(17(23)24)8-10-9-19-12-5-2-1-4-11(10)12/h1-7,9,13,19,21H,8H2,(H,20,22)(H,23,24)/t13-/m0/s1
InChIKeyRNUHWXYBVBNDBQ-ZDUSSCGKSA-N
MW325.32 g/mol
LogP1.69
Rot. Bonds5

About (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid

(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid (PubChem CID 70683698) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
PubChem CID70683698
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ncccc1O
InChIInChI=1S/C17H15N3O4/c21-14-6-3-7-18-15(14)16(22)20-13(17(23)24)8-10-9-19-12-5-2-1-4-11(10)12/h1-7,9,13,19,21H,8H2,(H,20,22)(H,23,24)/t13-/m0/s1
InChIKeyRNUHWXYBVBNDBQ-ZDUSSCGKSA-N
XLogP1.69
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid (CID 70683698) is (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid is O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ncccc1O.
What is the InChIKey of (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is RNUHWXYBVBNDBQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-14-6-3-7-18-15(14)16(22)20-13(17(23)24)8-10-9-19-12-5-2-1-4-11(10)12/h1-7,9,13,19,21H,8H2,(H,20,22)(H,23,24)/t13-/m0/s1.
What are the key properties of (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid?
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 325.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 70683698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).