(Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium

C3H7N3O4 — CID 136613646

IUPAC(Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium
SMILESCN(CC(=O)O)/[N+]([O-])=N/O
InChIInChI=1S/C3H7N3O4/c1-5(2-3(7)8)6(10)4-9/h9H,2H2,1H3,(H,7,8)/b6-4-
InChIKeyLRMJMICIHYMQNP-XQRVVYSFSA-N
MW149.11 g/mol
LogP-0.73
Rot. Bonds3

About (Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium

(Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium (PubChem CID 136613646) has the molecular formula C3H7N3O4 and a molecular weight of 149.11 g/mol. Its IUPAC name is (Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium.

Molecular Properties

Compound Name(Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium
PubChem CID136613646
Molecular FormulaC3H7N3O4
Molecular Weight149.11 g/mol
Exact Mass149.04
IUPAC Name(Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium
SMILESCN(CC(=O)O)/[N+]([O-])=N/O
InChIInChI=1S/C3H7N3O4/c1-5(2-3(7)8)6(10)4-9/h9H,2H2,1H3,(H,7,8)/b6-4-
InChIKeyLRMJMICIHYMQNP-XQRVVYSFSA-N
XLogP-0.73
TPSA99.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

azane;2-(dimethylamino)acetic acid
CID 172828475
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
tricalcium;2-(dimethylamino)acetic acid;diphosphate
CID 174914773
hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium
CID 135521196
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[dimethylcarbamoyl(methyl)amino]acetic acid
CID 43135260
2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)
CID 88765663
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
2-[fluoromethyl(methyl)amino]acetic acid
CID 87673073
2-[carboxymethyl(methyl)amino]-2-oxoacetic acid
CID 14985601
sodium (E)-carboxymethyl-hydroxyimino-oxidoazanium
CID 135502192
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736

Frequently Asked Questions

What is the IUPAC name of (Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium?
The IUPAC name of (Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium (CID 136613646) is (Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium.
What is the SMILES notation for (Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium?
The canonical SMILES for (Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium is CN(CC(=O)O)/[N+]([O-])=N/O.
What is the InChIKey of (Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium?
The InChIKey is LRMJMICIHYMQNP-XQRVVYSFSA-N. The full InChI is InChI=1S/C3H7N3O4/c1-5(2-3(7)8)6(10)4-9/h9H,2H2,1H3,(H,7,8)/b6-4-.
What are the key properties of (Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium?
(Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium has a molecular weight of 149.11 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[carboxymethyl(methyl)amino]-hydroxyimino-oxidoazanium is sourced from PubChem (CID 136613646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).