2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid

C14H19ClN2O3 — CID 43631782

IUPAC2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)NCc1ccccc1Cl)C(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-2-5-12(14(19)20)16-9-13(18)17-8-10-6-3-4-7-11(10)15/h3-4,6-7,12,16H,2,5,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyZMZYTBXFTBTIQM-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.80
Rot. Bonds8

About 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid

2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid (PubChem CID 43631782) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid
PubChem CID43631782
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)NCc1ccccc1Cl)C(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-2-5-12(14(19)20)16-9-13(18)17-8-10-6-3-4-7-11(10)15/h3-4,6-7,12,16H,2,5,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyZMZYTBXFTBTIQM-UHFFFAOYSA-N
XLogP1.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 9306793
(2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide
CID 94200899
2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid
CID 43631427
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263929
2-[(2,5-dichlorophenyl)methylamino]pentanoic acid
CID 65316981
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid
CID 43631680
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid (CID 43631782) is 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid is CCCC(NCC(=O)NCc1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid?
The InChIKey is ZMZYTBXFTBTIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-2-5-12(14(19)20)16-9-13(18)17-8-10-6-3-4-7-11(10)15/h3-4,6-7,12,16H,2,5,8-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid?
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid has a molecular weight of 298.77 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 43631782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).