2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid

C13H17ClN2O3 — CID 43631680

IUPAC2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)Nc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C13H17ClN2O3/c1-2-3-11(13(18)19)15-8-12(17)16-10-6-4-9(14)5-7-10/h4-7,11,15H,2-3,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyVRYJRRLESLXVIX-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.12
Rot. Bonds7

About 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid

2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid (PubChem CID 43631680) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid
PubChem CID43631680
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)Nc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C13H17ClN2O3/c1-2-3-11(13(18)19)15-8-12(17)16-10-6-4-9(14)5-7-10/h4-7,11,15H,2-3,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyVRYJRRLESLXVIX-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
2-[(4-chlorophenyl)methylamino]pentanoic acid
CID 43631664
2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631877
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 60696183
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631468
2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid
CID 43632015
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631726
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]pentanoic acid
CID 43631780
5-(4-chloroanilino)-2-ethyl-5-oxopentanoic acid
CID 112517527
(2R)-2-(2-aminoethylamino)-4-(4-chloroanilino)-4-oxobutanoic acid
CID 7590969
(2R)-4-(4-chloroanilino)-2-[2-(diethylamino)ethylamino]-4-oxobutanoic acid
CID 7166042

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid (CID 43631680) is 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid is CCCC(NCC(=O)Nc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid?
The InChIKey is VRYJRRLESLXVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-2-3-11(13(18)19)15-8-12(17)16-10-6-4-9(14)5-7-10/h4-7,11,15H,2-3,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid?
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid has a molecular weight of 284.74 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 43631680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).