2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride

C9H13ClN3O4- — CID 131727693

IUPAC2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride
SMILESCl.NCC(=O)O.[NH-]Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7N2O2.C2H5NO2.ClH/c8-5-6-1-3-7(4-2-6)9(10)11;3-1-2(4)5;/h1-4,8H,5H2;1,3H2,(H,4,5);1H/q-1;;
InChIKeyFOIYFGIHXAEMMH-UHFFFAOYSA-N
MW262.67 g/mol
LogP1.60
Rot. Bonds3

About 2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride

2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride (PubChem CID 131727693) has the molecular formula C9H13ClN3O4- and a molecular weight of 262.67 g/mol. Its IUPAC name is 2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride.

Molecular Properties

Compound Name2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride
PubChem CID131727693
Molecular FormulaC9H13ClN3O4-
Molecular Weight262.67 g/mol
Exact Mass262.06
IUPAC Name2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride
SMILESCl.NCC(=O)O.[NH-]Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7N2O2.C2H5NO2.ClH/c8-5-6-1-3-7(4-2-6)9(10)11;3-1-2(4)5;/h1-4,8H,5H2;1,3H2,(H,4,5);1H/q-1;;
InChIKeyFOIYFGIHXAEMMH-UHFFFAOYSA-N
XLogP1.60
TPSA130.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(methylamino)propanoic acid;(4-nitrophenyl)methylazanide;hydrochloride
CID 131739435
4-(4-nitrophenyl)-3-oxobutanoic acid
CID 90710883
3-(4-nitrophenyl)propyl hydrogen carbonate
CID 67493125
potassium 2-(4-nitrophenyl)acetate
CID 15261201
zinc;bis(2-(4-nitrophenyl)acetate);bis(propane-1,3-diamine)
CID 139087845
5-(4-nitrophenyl)-4-oxopentanoic acid
CID 54077225
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
2-[3-[(4-nitrophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid
CID 2767617
N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride
CID 86662371
1-nitro-2-(4-nitrophenyl)ethanamine
CID 87584339
3-(4-nitrophenyl)propanoate
CID 6923582
2-[2-(4-nitrophenyl)ethylsulfanyl]acetic acid
CID 43519860

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride?
The IUPAC name of 2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride (CID 131727693) is 2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride.
What is the SMILES notation for 2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride?
The canonical SMILES for 2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride is Cl.NCC(=O)O.[NH-]Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride?
The InChIKey is FOIYFGIHXAEMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O2.C2H5NO2.ClH/c8-5-6-1-3-7(4-2-6)9(10)11;3-1-2(4)5;/h1-4,8H,5H2;1,3H2,(H,4,5);1H/q-1;;.
What are the key properties of 2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride?
2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride has a molecular weight of 262.67 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(4-nitrophenyl)methylazanide;hydrochloride is sourced from PubChem (CID 131727693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).