2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid

C15H20N2O3 — CID 80552743

IUPAC2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-3-9-17(10-13(18)19)15(20)11(2)14(16)12-7-5-4-6-8-12/h3-8,11,14H,1,9-10,16H2,2H3,(H,18,19)
InChIKeyZDYWGWKCWVABEN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.42
Rot. Bonds7

About 2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid

2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid (PubChem CID 80552743) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
PubChem CID80552743
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-3-9-17(10-13(18)19)15(20)11(2)14(16)12-7-5-4-6-8-12/h3-8,11,14H,1,9-10,16H2,2H3,(H,18,19)
InChIKeyZDYWGWKCWVABEN-UHFFFAOYSA-N
XLogP1.42
TPSA83.63 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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 79262621
3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride
CID 119741680
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
CID 81426075
2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 104903696
2-[[(2S,3S)-2-amino-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263366
(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
CID 104898275
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]-prop-2-enylamino]acetic acid
CID 103930166
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid
CID 79263608

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid (CID 80552743) is 2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid?
The InChIKey is ZDYWGWKCWVABEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-9-17(10-13(18)19)15(20)11(2)14(16)12-7-5-4-6-8-12/h3-8,11,14H,1,9-10,16H2,2H3,(H,18,19).
What are the key properties of 2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid?
2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 80552743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).