5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid

C14H19ClN2O4 — CID 118332400

IUPAC5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCOc1ncc(Cl)cc1NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C14H19ClN2O4/c1-4-21-13-10(5-9(15)8-16-13)17-11(18)6-14(2,3)7-12(19)20/h5,8H,4,6-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyQXQPPQOYBQVWLC-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.96
Rot. Bonds7

About 5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid

5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 118332400) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID118332400
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCOc1ncc(Cl)cc1NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C14H19ClN2O4/c1-4-21-13-10(5-9(15)8-16-13)17-11(18)6-14(2,3)7-12(19)20/h5,8H,4,6-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyQXQPPQOYBQVWLC-UHFFFAOYSA-N
XLogP2.96
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 5070588
5-(2-ethoxy-4-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 47062060
5-[5-chloro-2-(ethylcarbamoyl)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 51088112
5-(5-chloro-2-cyanoanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 60708253
5-[(6-chloro-5-methyl-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 114049207
5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119148530
5-(4-chloroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 2732371
3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
CID 64683487
5-(4-hydroxy-2,5-dimethylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 106953481
5-(3-chloro-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27156582
5-[[3-(4-chlorobenzoyl)-5-ethylthiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;ethane
CID 143691538
(5-chloro-6-ethoxy-3-pyridinyl)carbamic acid
CID 118540048

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid (CID 118332400) is 5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid is CCOc1ncc(Cl)cc1NC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is QXQPPQOYBQVWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-4-21-13-10(5-9(15)8-16-13)17-11(18)6-14(2,3)7-12(19)20/h5,8H,4,6-7H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 314.77 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-ethoxy-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 118332400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).