2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid

C8H9N3O3 — CID 88580721

IUPAC2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid
SMILESNC(Cc1ncccc1N=O)C(=O)O
InChIInChI=1S/C8H9N3O3/c9-5(8(12)13)4-7-6(11-14)2-1-3-10-7/h1-3,5H,4,9H2,(H,12,13)
InChIKeyFEOIJDWTCKXOJE-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.43
Rot. Bonds4

About 2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid

2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid (PubChem CID 88580721) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid
PubChem CID88580721
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid
SMILESNC(Cc1ncccc1N=O)C(=O)O
InChIInChI=1S/C8H9N3O3/c9-5(8(12)13)4-7-6(11-14)2-1-3-10-7/h1-3,5H,4,9H2,(H,12,13)
InChIKeyFEOIJDWTCKXOJE-UHFFFAOYSA-N
XLogP0.43
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid
CID 69488505
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid
CID 84681612
(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
CID 127019845
2-amino-3-(3-bromo-2-pyridinyl)propanamide
CID 130575756
2-amino-3-phenylpropanoic acid;nitrous acid
CID 54766273
2-amino-3-(2-ethoxy-3-pyridinyl)propanoic acid
CID 170879502
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
2-amino-3-furo[2,3-b]pyridin-3-ylpropanoic acid
CID 84778964
2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid
CID 11509081

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid (CID 88580721) is 2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid is NC(Cc1ncccc1N=O)C(=O)O.
What is the InChIKey of 2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid?
The InChIKey is FEOIJDWTCKXOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-5(8(12)13)4-7-6(11-14)2-1-3-10-7/h1-3,5H,4,9H2,(H,12,13).
What are the key properties of 2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid?
2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid has a molecular weight of 195.18 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid is sourced from PubChem (CID 88580721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).