3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid

C20H23ClN2O3 — CID 122120208

IUPAC3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)CC(=O)NC(c1ccccc1)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C20H23ClN2O3/c1-14(20(25)26)12-23(2)13-18(24)22-19(15-7-4-3-5-8-15)16-9-6-10-17(21)11-16/h3-11,14,19H,12-13H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyGVWSIJMTKNHBRU-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.20
Rot. Bonds8

About 3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid

3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid (PubChem CID 122120208) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
PubChem CID122120208
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)CC(=O)NC(c1ccccc1)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C20H23ClN2O3/c1-14(20(25)26)12-23(2)13-18(24)22-19(15-7-4-3-5-8-15)16-9-6-10-17(21)11-16/h3-11,14,19H,12-13H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyGVWSIJMTKNHBRU-UHFFFAOYSA-N
XLogP3.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid
CID 122120150
3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120110
4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide
CID 120560763
2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913312
N-[(3-chlorophenyl)-phenylmethyl]-2-(2-methoxyphenyl)acetamide
CID 55804403
2-[[2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]acetyl]amino]-5-chlorobenzoic acid
CID 67165287
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8767844
3-[(2,5-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65316606
3-[2-(3-chlorophenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 112510600
3-[[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120214
2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid
CID 122120087
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid (CID 122120208) is 3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid is CC(CN(C)CC(=O)NC(c1ccccc1)c1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is GVWSIJMTKNHBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14(20(25)26)12-23(2)13-18(24)22-19(15-7-4-3-5-8-15)16-9-6-10-17(21)11-16/h3-11,14,19H,12-13H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 374.87 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122120208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).