3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid

C15H20N2O3 — CID 64567705

IUPAC3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid
SMILESCN(CC(=O)NC1CC1)CC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-17(10-14(18)16-12-7-8-12)9-13(15(19)20)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyCNUXRSOLLLTYOI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.07
Rot. Bonds7

About 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid

3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid (PubChem CID 64567705) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid
PubChem CID64567705
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid
SMILESCN(CC(=O)NC1CC1)CC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-17(10-14(18)16-12-7-8-12)9-13(15(19)20)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyCNUXRSOLLLTYOI-UHFFFAOYSA-N
XLogP1.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(3-hydrazinyl-3-oxo-2-phenylpropyl)-methylamino]acetamide
CID 64566681
2-[(3-amino-2-phenylpropyl)-methylamino]-N-cyclopropylacetamide
CID 43575619
N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide
CID 91835840
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
N-cyclopropyl-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8908925
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide
CID 8910060
2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 84869554
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 43575631
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid
CID 63275293
3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 79120845

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid?
The IUPAC name of 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid (CID 64567705) is 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid is CN(CC(=O)NC1CC1)CC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid?
The InChIKey is CNUXRSOLLLTYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17(10-14(18)16-12-7-8-12)9-13(15(19)20)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid?
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid is sourced from PubChem (CID 64567705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).