2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid

C12H15NO4 — CID 69415447

IUPAC2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid
SMILESNC(Cc1cccc(C2OCCO2)c1)C(=O)O
InChIInChI=1S/C12H15NO4/c13-10(11(14)15)7-8-2-1-3-9(6-8)12-16-4-5-17-12/h1-3,6,10,12H,4-5,7,13H2,(H,14,15)
InChIKeyWCCLZVOSICPWRY-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.69
Rot. Bonds4

About 2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid

2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid (PubChem CID 69415447) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid
PubChem CID69415447
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid
SMILESNC(Cc1cccc(C2OCCO2)c1)C(=O)O
InChIInChI=1S/C12H15NO4/c13-10(11(14)15)7-8-2-1-3-9(6-8)12-16-4-5-17-12/h1-3,6,10,12H,4-5,7,13H2,(H,14,15)
InChIKeyWCCLZVOSICPWRY-UHFFFAOYSA-N
XLogP0.69
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride
CID 20637685
2-amino-3-[4-(1,3-dioxan-2-yl)phenyl]propanoic acid
CID 24753909
(2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid
CID 177277385
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid
CID 150517437
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid (CID 69415447) is 2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid is NC(Cc1cccc(C2OCCO2)c1)C(=O)O.
What is the InChIKey of 2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid?
The InChIKey is WCCLZVOSICPWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c13-10(11(14)15)7-8-2-1-3-9(6-8)12-16-4-5-17-12/h1-3,6,10,12H,4-5,7,13H2,(H,14,15).
What are the key properties of 2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid?
2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid is sourced from PubChem (CID 69415447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).