2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid

C12H15Cl2N3O3 — CID 43631726

IUPAC2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)Nc1ncc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C12H15Cl2N3O3/c1-2-3-9(12(19)20)15-6-10(18)17-11-8(14)4-7(13)5-16-11/h4-5,9,15H,2-3,6H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyHZYITPKTGHBNCL-UHFFFAOYSA-N
MW320.18 g/mol
LogP2.17
Rot. Bonds7

About 2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid

2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid (PubChem CID 43631726) has the molecular formula C12H15Cl2N3O3 and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid
PubChem CID43631726
Molecular FormulaC12H15Cl2N3O3
Molecular Weight320.18 g/mol
Exact Mass319.05
IUPAC Name2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)Nc1ncc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C12H15Cl2N3O3/c1-2-3-9(12(19)20)15-6-10(18)17-11-8(14)4-7(13)5-16-11/h4-5,9,15H,2-3,6H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyHZYITPKTGHBNCL-UHFFFAOYSA-N
XLogP2.17
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic 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-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid
CID 43631680
2-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105353727
N-(3,5-dichloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 55028442
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid
CID 43631782
2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 66234835
2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 4583439
N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115966875
(2R)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]pentanoic acid
CID 107563108
2-(2-aminopropylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 66218227
N-(5-chloro-3-methyl-2-pyridinyl)-2-(methylamino)acetamide
CID 130603867
ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate
CID 60811106
ethyl 4-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8538802

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid (CID 43631726) is 2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid is CCCC(NCC(=O)Nc1ncc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid?
The InChIKey is HZYITPKTGHBNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O3/c1-2-3-9(12(19)20)15-6-10(18)17-11-8(14)4-7(13)5-16-11/h4-5,9,15H,2-3,6H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid?
2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid has a molecular weight of 320.18 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 43631726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).