(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid

C11H13NO2 — CID 106702789

IUPAC(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
SMILESN[C@H](CC1Cc2ccccc21)C(=O)O
InChIInChI=1S/C11H13NO2/c12-10(11(13)14)6-8-5-7-3-1-2-4-9(7)8/h1-4,8,10H,5-6,12H2,(H,13,14)/t8?,10-/m1/s1
InChIKeyVUYPFWQQTKHPLJ-LHIURRSHSA-N
MW191.23 g/mol
LogP1.13
Rot. Bonds3

About (2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid

(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid (PubChem CID 106702789) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
PubChem CID106702789
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
SMILESN[C@H](CC1Cc2ccccc21)C(=O)O
InChIInChI=1S/C11H13NO2/c12-10(11(13)14)6-8-5-7-3-1-2-4-9(7)8/h1-4,8,10H,5-6,12H2,(H,13,14)/t8?,10-/m1/s1
InChIKeyVUYPFWQQTKHPLJ-LHIURRSHSA-N
XLogP1.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylsulfanyl)propanoic acid
CID 66419315
4-amino-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanoic acid
CID 104680979
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanoic acid
CID 79425221
(2S)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propanoic acid
CID 83194092
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-fluorophenyl)propanoic acid
CID 79424641
(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 107773515
4-amino-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-one
CID 116553051
(2S)-2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanamide
CID 79024332
3-amino-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methylpentan-2-one
CID 116549000
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanediamide
CID 54928768
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-2-amine
CID 103028488
2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoic acid
CID 175266856

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid (CID 106702789) is (2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid is N[C@H](CC1Cc2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid?
The InChIKey is VUYPFWQQTKHPLJ-LHIURRSHSA-N. The full InChI is InChI=1S/C11H13NO2/c12-10(11(13)14)6-8-5-7-3-1-2-4-9(7)8/h1-4,8,10H,5-6,12H2,(H,13,14)/t8?,10-/m1/s1.
What are the key properties of (2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid?
(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid has a molecular weight of 191.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid is sourced from PubChem (CID 106702789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).