(Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium

C5H9N3O4 — CID 135530191

IUPAC(Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium
SMILESO=C(O)C1CCCN1/[N+]([O-])=N/O
InChIInChI=1S/C5H9N3O4/c9-5(10)4-2-1-3-7(4)8(12)6-11/h4,11H,1-3H2,(H,9,10)/b8-6-
InChIKeyFKMOQUQNBOAPOT-VURMDHGXSA-N
MW175.14 g/mol
LogP-0.20
Rot. Bonds2

About (Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium

(Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium (PubChem CID 135530191) has the molecular formula C5H9N3O4 and a molecular weight of 175.14 g/mol. Its IUPAC name is (Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium.

Molecular Properties

Compound Name(Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium
PubChem CID135530191
Molecular FormulaC5H9N3O4
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name(Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium
SMILESO=C(O)C1CCCN1/[N+]([O-])=N/O
InChIInChI=1S/C5H9N3O4/c9-5(10)4-2-1-3-7(4)8(12)6-11/h4,11H,1-3H2,(H,9,10)/b8-6-
InChIKeyFKMOQUQNBOAPOT-VURMDHGXSA-N
XLogP-0.20
TPSA99.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-0.20
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

(Z)-(2-carboxypyrrolidin-1-yl)-[5-[(Z)-[(2-carboxypyrrolidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium
CID 177441684
1-oxidopyrrolidine-2-carboxylic acid
CID 87113946
disodium;1-[(Z)-oxido(oxidoimino)azaniumyl]piperidine-2-carboxylate
CID 135535914
(2S)-1-chloropyrrolidine-2-carboxylic acid
CID 25009763
1-(5-nitropyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 61147514
(2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate
CID 156642898
azane;1-hydroxypyrrolidine-2-carboxylic acid
CID 138563399
CID 175713287
CID 175713287
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
1-(dihydroxymethyl)pyrrolidine-2-carboxylic acid
CID 22996998

Frequently Asked Questions

What is the IUPAC name of (Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium?
The IUPAC name of (Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium (CID 135530191) is (Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium.
What is the SMILES notation for (Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium?
The canonical SMILES for (Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium is O=C(O)C1CCCN1/[N+]([O-])=N/O.
What is the InChIKey of (Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium?
The InChIKey is FKMOQUQNBOAPOT-VURMDHGXSA-N. The full InChI is InChI=1S/C5H9N3O4/c9-5(10)4-2-1-3-7(4)8(12)6-11/h4,11H,1-3H2,(H,9,10)/b8-6-.
What are the key properties of (Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium?
(Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium has a molecular weight of 175.14 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium is sourced from PubChem (CID 135530191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).