2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride

C8H9ClN2O3 — CID 44658280

IUPAC2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride
SMILESO=C(O)CNC(=O)c1ccc[nH+]c1.[Cl-]
InChIInChI=1S/C8H8N2O3.ClH/c11-7(12)5-10-8(13)6-2-1-3-9-4-6;/h1-4H,5H2,(H,10,13)(H,11,12);1H
InChIKeyUDNOFGJGMOZNND-UHFFFAOYSA-N
MW216.62 g/mol
LogP-3.68
Rot. Bonds3

About 2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride

2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride (PubChem CID 44658280) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride.

Molecular Properties

Compound Name2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride
PubChem CID44658280
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride
SMILESO=C(O)CNC(=O)c1ccc[nH+]c1.[Cl-]
InChIInChI=1S/C8H8N2O3.ClH/c11-7(12)5-10-8(13)6-2-1-3-9-4-6;/h1-4H,5H2,(H,10,13)(H,11,12);1H
InChIKeyUDNOFGJGMOZNND-UHFFFAOYSA-N
XLogP-3.68
TPSA80.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 5-3.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(pyridin-1-ium-3-carbonylamino)acetic acid
CID 3613751
6-(pyridin-1-ium-3-carbonylamino)hexanoic acid
CID 3988361
2-benzamidoacetic acid;hydrofluoride
CID 174760685
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
3-fluoro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride
CID 20787057
3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid
CID 3431523
bis(2-benzamidoacetic acid);heptanoic acid;hexanoic acid
CID 174051759
2-benzamidoacetic acid;prop-2-enamide
CID 175727656
2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid
CID 169198623
2-[(3-methoxycarbonylbenzoyl)amino]acetic acid
CID 108786639
2-benzamidoacetic acid;2-(2-formylphenyl)acetic acid
CID 86664383

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride?
The IUPAC name of 2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride (CID 44658280) is 2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride.
What is the SMILES notation for 2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride?
The canonical SMILES for 2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride is O=C(O)CNC(=O)c1ccc[nH+]c1.[Cl-].
What is the InChIKey of 2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride?
The InChIKey is UDNOFGJGMOZNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3.ClH/c11-7(12)5-10-8(13)6-2-1-3-9-4-6;/h1-4H,5H2,(H,10,13)(H,11,12);1H.
What are the key properties of 2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride?
2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride has a molecular weight of 216.62 g/mol, XLogP of -3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride is sourced from PubChem (CID 44658280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).