2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid

C10H12N2O3 — CID 70067627

IUPAC2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid
SMILESC=CCc1ccn(CC(=O)O)c(=O)c1N
InChIInChI=1S/C10H12N2O3/c1-2-3-7-4-5-12(6-8(13)14)10(15)9(7)11/h2,4-5H,1,3,6,11H2,(H,13,14)
InChIKeyRSYXEXZFCQGZLP-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.24
Rot. Bonds4

About 2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid

2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid (PubChem CID 70067627) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid
PubChem CID70067627
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid
SMILESC=CCc1ccn(CC(=O)O)c(=O)c1N
InChIInChI=1S/C10H12N2O3/c1-2-3-7-4-5-12(6-8(13)14)10(15)9(7)11/h2,4-5H,1,3,6,11H2,(H,13,14)
InChIKeyRSYXEXZFCQGZLP-UHFFFAOYSA-N
XLogP0.24
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-Amino-2-oxopyridin-1(2H)-yl)acetic acid
CID 18469040
2-(3-Amino-2-oxo-1,2-dihydropyridin-1-yl)acetic acid hydrochloride
CID 71757205
2-[3-Amino-6-methyl-2-oxo-4-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 141878641
methyl (3-amino-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)acetate
CID 1384057
2-(3-Amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid
CID 18323861
2-(3-Amino-6-butyl-2-oxo-1-pyridinyl)acetic acid
CID 18469002
2-(2,4-Dimethyl-6-oxo-1-pyridinyl)acetic acid
CID 46785850
2-(3-Amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid
CID 67651443
2-(2-oxo-4,8-dihydro-3H-pyrido[3,4-b]azepin-1-yl)acetic acid
CID 69986892
2-(3-Amino-2-oxo-6-prop-2-enyl-1-pyridinyl)acetic acid
CID 70067275
(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)-methylcarbamic acid
CID 89580987
2-(2-Oxo-4-propan-2-yl-1-pyridinyl)acetic acid
CID 89965894

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid (CID 70067627) is 2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid is C=CCc1ccn(CC(=O)O)c(=O)c1N.
What is the InChIKey of 2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid?
The InChIKey is RSYXEXZFCQGZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-3-7-4-5-12(6-8(13)14)10(15)9(7)11/h2,4-5H,1,3,6,11H2,(H,13,14).
What are the key properties of 2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid?
2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid is sourced from PubChem (CID 70067627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).