2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid

C15H21NO3 — CID 82325138

IUPAC2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid
SMILESCCCN(CC(C)C(=O)O)C(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-3-9-16(11-12(2)15(18)19)14(17)10-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,18,19)
InChIKeyCVKFNMLAIKABGJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.19
Rot. Bonds7

About 2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid

2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid (PubChem CID 82325138) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid
PubChem CID82325138
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid
SMILESCCCN(CC(C)C(=O)O)C(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-3-9-16(11-12(2)15(18)19)14(17)10-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,18,19)
InChIKeyCVKFNMLAIKABGJ-UHFFFAOYSA-N
XLogP2.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-[benzyl(propanoyl)amino]-2-methylpropanoic acid
CID 95537487
3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid
CID 82325107
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54987956
2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325608
3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 82325211
3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid
CID 82324785
3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
CID 82324559
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 62853866
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
N-[2-(dipropylamino)-2-oxoethyl]-2-phenylacetamide
CID 78784642
2-methyl-3-[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]propanoic acid
CID 122120137
3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid
CID 55123242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid (CID 82325138) is 2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid is CCCN(CC(C)C(=O)O)C(=O)Cc1ccccc1.
What is the InChIKey of 2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid?
The InChIKey is CVKFNMLAIKABGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-9-16(11-12(2)15(18)19)14(17)10-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid?
2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid is sourced from PubChem (CID 82325138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).