2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid

C10H9ClN2O5 — CID 66464574

IUPAC2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1ccncc1Cl
InChIInChI=1S/C10H9ClN2O5/c11-7-3-12-2-1-6(7)10(18)13(4-8(14)15)5-9(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17)
InChIKeyLACKXTSQDPSDEJ-UHFFFAOYSA-N
MW272.64 g/mol
LogP0.35
Rot. Bonds5

About 2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid

2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid (PubChem CID 66464574) has the molecular formula C10H9ClN2O5 and a molecular weight of 272.64 g/mol. Its IUPAC name is 2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
PubChem CID66464574
Molecular FormulaC10H9ClN2O5
Molecular Weight272.64 g/mol
Exact Mass272.02
IUPAC Name2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1ccncc1Cl
InChIInChI=1S/C10H9ClN2O5/c11-7-3-12-2-1-6(7)10(18)13(4-8(14)15)5-9(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17)
InChIKeyLACKXTSQDPSDEJ-UHFFFAOYSA-N
XLogP0.35
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.64
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide
CID 66474102
3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
CID 66483955
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484898
2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid
CID 120519712
3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
CID 66463019
3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 66482927
3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464024
3-chloro-N-(2-phenylsulfanylethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 46995513
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide
CID 66464783
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid (CID 66464574) is 2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)c1ccncc1Cl.
What is the InChIKey of 2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid?
The InChIKey is LACKXTSQDPSDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O5/c11-7-3-12-2-1-6(7)10(18)13(4-8(14)15)5-9(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid?
2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid has a molecular weight of 272.64 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 66464574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).