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

C15H21ClN2O3 — CID 62821190

IUPAC2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(=O)NCc1ccccc1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C15H21ClN2O3/c1-4-18(15(2,3)14(20)21)10-13(19)17-9-11-7-5-6-8-12(11)16/h5-8H,4,9-10H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyZXVSRWQBVVJKQU-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.14
Rot. Bonds7

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

2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62821190) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62821190
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(=O)NCc1ccccc1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C15H21ClN2O3/c1-4-18(15(2,3)14(20)21)10-13(19)17-9-11-7-5-6-8-12(11)16/h5-8H,4,9-10H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyZXVSRWQBVVJKQU-UHFFFAOYSA-N
XLogP2.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820582
2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 79263016
2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821132
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263929
2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
CID 71847666
N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide
CID 109021380
2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113170122
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63064354
3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea
CID 108897659
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid (CID 62821190) is 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid is CCN(CC(=O)NCc1ccccc1Cl)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is ZXVSRWQBVVJKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-4-18(15(2,3)14(20)21)10-13(19)17-9-11-7-5-6-8-12(11)16/h5-8H,4,9-10H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 312.80 g/mol, XLogP of 2.14, 7 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]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62821190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).