2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid

C14H19ClN2O4 — CID 120517194

IUPAC2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCCOc1ncc(C(=O)N(CC(=O)O)CC(C)C)cc1Cl
InChIInChI=1S/C14H19ClN2O4/c1-4-21-13-11(15)5-10(6-16-13)14(20)17(7-9(2)3)8-12(18)19/h5-6,9H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyHCBUWRXSZBSPGO-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.32
Rot. Bonds7

About 2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 120517194) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID120517194
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCCOc1ncc(C(=O)N(CC(=O)O)CC(C)C)cc1Cl
InChIInChI=1S/C14H19ClN2O4/c1-4-21-13-11(15)5-10(6-16-13)14(20)17(7-9(2)3)8-12(18)19/h5-6,9H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyHCBUWRXSZBSPGO-UHFFFAOYSA-N
XLogP2.32
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid
CID 120529873
2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 62032806
5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide
CID 111596458
5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 62180091
5-chloro-6-hydrazinyl-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 62236246
2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 120517164
5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 111663052
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 126775677
2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 114326521
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243474

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 120517194) is 2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid is CCOc1ncc(C(=O)N(CC(=O)O)CC(C)C)cc1Cl.
What is the InChIKey of 2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is HCBUWRXSZBSPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-4-21-13-11(15)5-10(6-16-13)14(20)17(7-9(2)3)8-12(18)19/h5-6,9H,4,7-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 314.77 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 120517194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).