sodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate

C10H12N3NaO3 — CID 142166280

IUPACsodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate
SMILESCOc1ccc(/N=N/N(C)CC(=O)[O-])cc1.[Na+]
InChIInChI=1S/C10H13N3O3.Na/c1-13(7-10(14)15)12-11-8-3-5-9(16-2)6-4-8;/h3-6H,7H2,1-2H3,(H,14,15);/q;+1/p-1/b12-11+;
InChIKeyFMODPRWBARDYAN-CALJPSDSSA-M
MW245.21 g/mol
LogP-2.62
Rot. Bonds5

About sodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate

sodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate (PubChem CID 142166280) has the molecular formula C10H12N3NaO3 and a molecular weight of 245.21 g/mol. Its IUPAC name is sodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate.

Molecular Properties

Compound Namesodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate
PubChem CID142166280
Molecular FormulaC10H12N3NaO3
Molecular Weight245.21 g/mol
Exact Mass245.08
IUPAC Namesodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate
SMILESCOc1ccc(/N=N/N(C)CC(=O)[O-])cc1.[Na+]
InChIInChI=1S/C10H13N3O3.Na/c1-13(7-10(14)15)12-11-8-3-5-9(16-2)6-4-8;/h3-6H,7H2,1-2H3,(H,14,15);/q;+1/p-1/b12-11+;
InChIKeyFMODPRWBARDYAN-CALJPSDSSA-M
XLogP-2.62
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 5-2.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(5-acetamido-2-methoxyphenyl)diazenyl]-methylamino]acetate
CID 23569694
2-[2-[[(4-methoxyphenyl)diazenyl]-methylamino]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 102415986
(4-methoxyphenyl)-methyldiazene
CID 20589170
sodium N-(4-methoxyphenyl)iminosulfamate
CID 23675130
N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
CID 10589059
2-[4-[(E)-2-[4-(dimethylaminodiazenyl)phenyl]ethenyl]phenoxy]acetate
CID 58868741
[4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate
CID 87506222
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
2-(4-methoxyphenyl)iminoacetate
CID 22600240
sodium 2-[[(4-dihydroxyarsanyloxyphenyl)diazenyl]-methylamino]ethanesulfonic acid
CID 54603741
CID 131854773
CID 131854773
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841

Frequently Asked Questions

What is the IUPAC name of sodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate?
The IUPAC name of sodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate (CID 142166280) is sodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate.
What is the SMILES notation for sodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate?
The canonical SMILES for sodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate is COc1ccc(/N=N/N(C)CC(=O)[O-])cc1.[Na+].
What is the InChIKey of sodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate?
The InChIKey is FMODPRWBARDYAN-CALJPSDSSA-M. The full InChI is InChI=1S/C10H13N3O3.Na/c1-13(7-10(14)15)12-11-8-3-5-9(16-2)6-4-8;/h3-6H,7H2,1-2H3,(H,14,15);/q;+1/p-1/b12-11+;.
What are the key properties of sodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate?
sodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate has a molecular weight of 245.21 g/mol, XLogP of -2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[[(4-methoxyphenyl)diazenyl]-methylamino]acetate is sourced from PubChem (CID 142166280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).