(1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid

C10H9NO2 — CID 11615264

IUPAC(1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid
SMILESN[C@]1(C(=O)O)C=C1c1ccccc1
InChIInChI=1S/C10H9NO2/c11-10(9(12)13)6-8(10)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,13)/t10-/m1/s1
InChIKeyXZXFWRXQQHSLKU-SNVBAGLBSA-N
MW175.19 g/mol
LogP0.87
Rot. Bonds2

About (1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid

(1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid (PubChem CID 11615264) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is (1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid
PubChem CID11615264
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name(1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid
SMILESN[C@]1(C(=O)O)C=C1c1ccccc1
InChIInChI=1S/C10H9NO2/c11-10(9(12)13)6-8(10)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,13)/t10-/m1/s1
InChIKeyXZXFWRXQQHSLKU-SNVBAGLBSA-N
XLogP0.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid?
The IUPAC name of (1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid (CID 11615264) is (1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid.
What is the SMILES notation for (1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid?
The canonical SMILES for (1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid is N[C@]1(C(=O)O)C=C1c1ccccc1.
What is the InChIKey of (1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid?
The InChIKey is XZXFWRXQQHSLKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H9NO2/c11-10(9(12)13)6-8(10)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,13)/t10-/m1/s1.
What are the key properties of (1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid?
(1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid has a molecular weight of 175.19 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid is sourced from PubChem (CID 11615264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).