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

C15H19NO3 — CID 79265157

IUPAC2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-4-10-16(11-13(17)18)14(19)15(2,3)12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3,(H,17,18)
InChIKeyQPMFIMOZQYBKEE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.06
Rot. Bonds6

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

2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid (PubChem CID 79265157) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid
PubChem CID79265157
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-4-10-16(11-13(17)18)14(19)15(2,3)12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3,(H,17,18)
InChIKeyQPMFIMOZQYBKEE-UHFFFAOYSA-N
XLogP2.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
2-[(2-tert-butylphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79270854
2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid
CID 63645589
2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid
CID 62489576
2-[(2-ethylphenyl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 79285251
2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 80552743
2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid
CID 70010051
2-[prop-2-enyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid
CID 79264072
2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid
CID 79262056
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid
CID 165486788
2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid
CID 79261884
2-[(2-amino-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 79262621

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid (CID 79265157) is 2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)C(C)(C)c1ccccc1.
What is the InChIKey of 2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid?
The InChIKey is QPMFIMOZQYBKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-10-16(11-13(17)18)14(19)15(2,3)12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3,(H,17,18).
What are the key properties of 2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid?
2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79265157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).