(1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid

C13H15N3O3 — CID 867995

IUPAC(1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid
SMILESNC(=O)NN=C1CC[C@](C(=O)O)(c2ccccc2)C1
InChIInChI=1S/C13H15N3O3/c14-12(19)16-15-10-6-7-13(8-10,11(17)18)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,17,18)(H3,14,16,19)/t13-/m1/s1
InChIKeyYZTPLWWUDDJENJ-CYBMUJFWSA-N
MW261.28 g/mol
LogP1.22
Rot. Bonds3

About (1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid

(1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid (PubChem CID 867995) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid
PubChem CID867995
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid
SMILESNC(=O)NN=C1CC[C@](C(=O)O)(c2ccccc2)C1
InChIInChI=1S/C13H15N3O3/c14-12(19)16-15-10-6-7-13(8-10,11(17)18)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,17,18)(H3,14,16,19)/t13-/m1/s1
InChIKeyYZTPLWWUDDJENJ-CYBMUJFWSA-N
XLogP1.22
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid?
The IUPAC name of (1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid (CID 867995) is (1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid is NC(=O)NN=C1CC[C@](C(=O)O)(c2ccccc2)C1.
What is the InChIKey of (1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid?
The InChIKey is YZTPLWWUDDJENJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-12(19)16-15-10-6-7-13(8-10,11(17)18)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,17,18)(H3,14,16,19)/t13-/m1/s1.
What are the key properties of (1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid?
(1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 867995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).