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

C13H17ClN2O3 — CID 65263929

IUPAC2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NCC(=O)NCc1ccccc1Cl)C(=O)O
InChIInChI=1S/C13H17ClN2O3/c1-13(2,12(18)19)16-8-11(17)15-7-9-5-3-4-6-10(9)14/h3-6,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyWQXNXJOHUVVZGJ-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.41
Rot. Bonds6

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

2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid (PubChem CID 65263929) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
PubChem CID65263929
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NCC(=O)NCc1ccccc1Cl)C(=O)O
InChIInChI=1S/C13H17ClN2O3/c1-13(2,12(18)19)16-8-11(17)15-7-9-5-3-4-6-10(9)14/h3-6,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyWQXNXJOHUVVZGJ-UHFFFAOYSA-N
XLogP1.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820582
2-(4-chloroanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 26417208
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821190
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 79263016
4-[(2-chlorophenyl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300170
2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 65264174
(3S)-N-[(2-chlorophenyl)methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 9079138
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789880
N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
CID 54835495

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid (CID 65263929) is 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid is CC(C)(NCC(=O)NCc1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid?
The InChIKey is WQXNXJOHUVVZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-13(2,12(18)19)16-8-11(17)15-7-9-5-3-4-6-10(9)14/h3-6,16H,7-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid?
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid has a molecular weight of 284.74 g/mol, XLogP of 1.41, 6 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]-2-methylpropanoic acid is sourced from PubChem (CID 65263929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).