(2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid

C14H12N2O3 — CID 22819556

IUPAC(2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid
SMILESN[C@H](Cc1nc2cc3ccccc3cc2o1)C(=O)O
InChIInChI=1S/C14H12N2O3/c15-10(14(17)18)7-13-16-11-5-8-3-1-2-4-9(8)6-12(11)19-13/h1-6,10H,7,15H2,(H,17,18)/t10-/m1/s1
InChIKeyAQMWWJSRFZKTCW-SNVBAGLBSA-N
MW256.26 g/mol
LogP1.94
Rot. Bonds3

About (2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid

(2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid (PubChem CID 22819556) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid
PubChem CID22819556
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name(2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid
SMILESN[C@H](Cc1nc2cc3ccccc3cc2o1)C(=O)O
InChIInChI=1S/C14H12N2O3/c15-10(14(17)18)7-13-16-11-5-8-3-1-2-4-9(8)6-12(11)19-13/h1-6,10H,7,15H2,(H,17,18)/t10-/m1/s1
InChIKeyAQMWWJSRFZKTCW-SNVBAGLBSA-N
XLogP1.94
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(6-methylbenzo[f][1,3]benzoxazol-2-yl)propanoic acid
CID 57178660
2-(2,3,3-trimethylbutyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358696
(2S)-2-amino-3-[4-(1-benzofuran-2-yl)phenyl]propanoic acid
CID 68534596
2-amino-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanoic acid
CID 117373393
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol
CID 22733420
(2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid
CID 66662980
2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid
CID 23468057
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid (CID 22819556) is (2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid is N[C@H](Cc1nc2cc3ccccc3cc2o1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid?
The InChIKey is AQMWWJSRFZKTCW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H12N2O3/c15-10(14(17)18)7-13-16-11-5-8-3-1-2-4-9(8)6-12(11)19-13/h1-6,10H,7,15H2,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid?
(2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid has a molecular weight of 256.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-benzo[f][1,3]benzoxazol-2-ylpropanoic acid is sourced from PubChem (CID 22819556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).