2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid

C19H20ClN3O6 — CID 163519914

IUPAC2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C14H11ClN2O4.C5H9NO2/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20;7-5(8)4-2-1-3-6-4/h1-6,18H,7H2,(H,17,21)(H,19,20);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1
InChIKeyDJXIUFFPDUDAPU-VWMHFEHESA-N
MW421.84 g/mol
LogP1.75
Rot. Bonds5

About 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid

2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 163519914) has the molecular formula C19H20ClN3O6 and a molecular weight of 421.84 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID163519914
Molecular FormulaC19H20ClN3O6
Molecular Weight421.84 g/mol
Exact Mass421.10
IUPAC Name2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C14H11ClN2O4.C5H9NO2/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20;7-5(8)4-2-1-3-6-4/h1-6,18H,7H2,(H,17,21)(H,19,20);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1
InChIKeyDJXIUFFPDUDAPU-VWMHFEHESA-N
XLogP1.75
TPSA148.85 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 51.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 163519914) is 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid is O=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is DJXIUFFPDUDAPU-VWMHFEHESA-N. The full InChI is InChI=1S/C14H11ClN2O4.C5H9NO2/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20;7-5(8)4-2-1-3-6-4/h1-6,18H,7H2,(H,17,21)(H,19,20);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1.
What are the key properties of 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid?
2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 421.84 g/mol, XLogP of 1.75, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 163519914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).