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

C14H19ClN2O3 — CID 62820582

IUPAC2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCN(CC(=O)NCc1ccccc1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-14(2,13(19)20)17(3)9-12(18)16-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyZLQWWMSUXDPAAH-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.75
Rot. Bonds6

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

2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62820582) 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]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
PubChem CID62820582
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCN(CC(=O)NCc1ccccc1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-14(2,13(19)20)17(3)9-12(18)16-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyZLQWWMSUXDPAAH-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821190
2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 79263016
N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
CID 71847666
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263929
2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287193
methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate
CID 62011489
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63064354
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
4-[(2-chlorophenyl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300170
N-butyl-N'-[(2-chlorophenyl)methyl]-N,2,2-trimethylpropanediamide
CID 108962687

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid (CID 62820582) is 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid is CN(CC(=O)NCc1ccccc1Cl)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is ZLQWWMSUXDPAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-14(2,13(19)20)17(3)9-12(18)16-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 298.77 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62820582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).