3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid

C20H24N2O3 — CID 122005203

IUPAC3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-22(13-12-19(23)24)20(25)21-15-18(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3,(H,21,25)(H,23,24)
InChIKeyOPXHCIKKYOXGTJ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.13
Rot. Bonds8

About 3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid

3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid (PubChem CID 122005203) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid
PubChem CID122005203
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-22(13-12-19(23)24)20(25)21-15-18(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3,(H,21,25)(H,23,24)
InChIKeyOPXHCIKKYOXGTJ-UHFFFAOYSA-N
XLogP3.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid
CID 99849415
3-[methyl-[(3-propan-2-ylphenyl)methylcarbamoyl]amino]propanoic acid
CID 122010578
4-amino-N-(2,3-diphenylpropyl)pentanamide
CID 120563401
3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
CID 122008074
3-[(1-cyclopropyl-2-phenylethyl)carbamoyl-methylamino]propanoic acid
CID 122002942
3-[2-[(3-bromophenyl)methyl]butylcarbamoyl-methylamino]propanoic acid
CID 122002885
5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82687731
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid
CID 66166586
N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide
CID 110361177
3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid
CID 122003284
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid (CID 122005203) is 3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)NCC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid?
The InChIKey is OPXHCIKKYOXGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-22(13-12-19(23)24)20(25)21-15-18(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid?
3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid has a molecular weight of 340.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 122005203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).