2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid

C10H8N2O3 — CID 146155968

IUPAC2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid
SMILESC#Cc1ccnc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C10H8N2O3/c1-2-7-3-4-11-8(5-7)10(15)12-6-9(13)14/h1,3-5H,6H2,(H,12,15)(H,13,14)
InChIKeyWVYHRWUSBOPRRY-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.12
Rot. Bonds3

About 2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid

2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid (PubChem CID 146155968) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid
PubChem CID146155968
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid
SMILESC#Cc1ccnc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C10H8N2O3/c1-2-7-3-4-11-8(5-7)10(15)12-6-9(13)14/h1,3-5H,6H2,(H,12,15)(H,13,14)
InChIKeyWVYHRWUSBOPRRY-UHFFFAOYSA-N
XLogP-0.12
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 115116842
2-(pyridine-2-carbonylamino)acetic acid;thiophene
CID 66951625
4-amino-N-(2-amino-2-oxoethyl)pyridine-2-carboxamide
CID 62156231
4-cyano-N-(4-methylpentyl)pyridine-2-carboxamide
CID 115116900
2-[(2-methoxypyridine-4-carbonyl)amino]acetic acid
CID 170946630
4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
CID 89301361
2-[(5-chloroisoquinoline-1-carbonyl)amino]acetic acid
CID 82571599
2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid
CID 82571590
2-(4-ethynylanilino)acetic acid
CID 165458363
N-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide
CID 87562359
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
N-[(5-bromo-2-methylphenyl)methyl]-4-cyanopyridine-2-carboxamide
CID 115116857

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid (CID 146155968) is 2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid is C#Cc1ccnc(C(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid?
The InChIKey is WVYHRWUSBOPRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-2-7-3-4-11-8(5-7)10(15)12-6-9(13)14/h1,3-5H,6H2,(H,12,15)(H,13,14).
What are the key properties of 2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid?
2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid has a molecular weight of 204.19 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 146155968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).