(2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid

C10H12N4O3 — CID 6111017

IUPAC(2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid
SMILESCNc1ccccc1/C(=N/NC(N)=O)C(=O)O
InChIInChI=1S/C10H12N4O3/c1-12-7-5-3-2-4-6(7)8(9(15)16)13-14-10(11)17/h2-5,12H,1H3,(H,15,16)(H3,11,14,17)/b13-8-
InChIKeyRBDGEWSIZZPBMW-JYRVWZFOSA-N
MW236.23 g/mol
LogP0.19
Rot. Bonds4

About (2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid

(2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid (PubChem CID 6111017) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is (2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid.

Molecular Properties

Compound Name(2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid
PubChem CID6111017
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name(2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid
SMILESCNc1ccccc1/C(=N/NC(N)=O)C(=O)O
InChIInChI=1S/C10H12N4O3/c1-12-7-5-3-2-4-6(7)8(9(15)16)13-14-10(11)17/h2-5,12H,1H3,(H,15,16)(H3,11,14,17)/b13-8-
InChIKeyRBDGEWSIZZPBMW-JYRVWZFOSA-N
XLogP0.19
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid?
The IUPAC name of (2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid (CID 6111017) is (2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid.
What is the SMILES notation for (2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid?
The canonical SMILES for (2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid is CNc1ccccc1/C(=N/NC(N)=O)C(=O)O.
What is the InChIKey of (2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid?
The InChIKey is RBDGEWSIZZPBMW-JYRVWZFOSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-12-7-5-3-2-4-6(7)8(9(15)16)13-14-10(11)17/h2-5,12H,1H3,(H,15,16)(H3,11,14,17)/b13-8-.
What are the key properties of (2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid?
(2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid has a molecular weight of 236.23 g/mol, XLogP of 0.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(carbamoylhydrazinylidene)-2-[2-(methylamino)phenyl]acetic acid is sourced from PubChem (CID 6111017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).