3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid

C13H18N2O3 — CID 55060067

IUPAC3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C(N)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-2-15(9-8-11(16)17)13(18)12(14)10-6-4-3-5-7-10/h3-7,12H,2,8-9,14H2,1H3,(H,16,17)
InChIKeyJRBUJOZORCCETB-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.01
Rot. Bonds6

About 3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid

3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid (PubChem CID 55060067) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
PubChem CID55060067
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C(N)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-2-15(9-8-11(16)17)13(18)12(14)10-6-4-3-5-7-10/h3-7,12H,2,8-9,14H2,1H3,(H,16,17)
InChIKeyJRBUJOZORCCETB-UHFFFAOYSA-N
XLogP1.01
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-(2-hydroxyethyl)-2-phenylacetamide;hydrochloride
CID 110897047
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706
(2R)-2-amino-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949185
(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
CID 81426075
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
CID 93371927
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
2-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 54870866
(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 93248514
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
CID 104898275
2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide
CID 60946442

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid?
The IUPAC name of 3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid (CID 55060067) is 3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid?
The canonical SMILES for 3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)C(N)c1ccccc1.
What is the InChIKey of 3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid?
The InChIKey is JRBUJOZORCCETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-15(9-8-11(16)17)13(18)12(14)10-6-4-3-5-7-10/h3-7,12H,2,8-9,14H2,1H3,(H,16,17).
What are the key properties of 3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid?
3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid is sourced from PubChem (CID 55060067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).