1-[nitroso(oxido)amino]piperidine-2-carboxylic acid

C6H10N3O4- — CID 10082699

IUPAC1-[nitroso(oxido)amino]piperidine-2-carboxylic acid
SMILESO=NN([O-])N1CCCCC1C(=O)O
InChIInChI=1S/C6H10N3O4/c10-6(11)5-3-1-2-4-8(5)9(13)7-12/h5H,1-4H2,(H,10,11)/q-1
InChIKeyABYKHXCTSFDXMC-UHFFFAOYSA-N
MW188.16 g/mol
LogP0.32
Rot. Bonds3

About 1-[nitroso(oxido)amino]piperidine-2-carboxylic acid

1-[nitroso(oxido)amino]piperidine-2-carboxylic acid (PubChem CID 10082699) has the molecular formula C6H10N3O4- and a molecular weight of 188.16 g/mol. Its IUPAC name is 1-[nitroso(oxido)amino]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[nitroso(oxido)amino]piperidine-2-carboxylic acid
PubChem CID10082699
Molecular FormulaC6H10N3O4-
Molecular Weight188.16 g/mol
Exact Mass188.07
IUPAC Name1-[nitroso(oxido)amino]piperidine-2-carboxylic acid
SMILESO=NN([O-])N1CCCCC1C(=O)O
InChIInChI=1S/C6H10N3O4/c10-6(11)5-3-1-2-4-8(5)9(13)7-12/h5H,1-4H2,(H,10,11)/q-1
InChIKeyABYKHXCTSFDXMC-UHFFFAOYSA-N
XLogP0.32
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-Nitrosopipecolic acid
CID 20614
1-Methylpiperidine-2-carboxylic acid
CID 415939
(2R)-1-methylpiperidine-2-carboxylic acid
CID 11286529
N-hydroxypipecolic acid
CID 269025
N-hydroxy-L-pipecolic acid
CID 92246037
2-Piperidinecarboxylic acid, 1-nitro-, DL-
CID 98368
N-Methyl-L-pipecolic acid
CID 6993266
Bipiperidinyl carboxylic acid
CID 91403644
(2R,6S)-1-nitrosopiperidine-2,6-dicarboxylic acid
CID 44312727
4,4-Difluoro-1-nitrosopiperidine-2-carboxylic acid
CID 130113862
1-Fluoropiperidine-2-carboxylic acid
CID 141427951
5,5-Difluoro-1-nitrosopiperidine-2-carboxylic acid
CID 176218452

Frequently Asked Questions

What is the IUPAC name of 1-[nitroso(oxido)amino]piperidine-2-carboxylic acid?
The IUPAC name of 1-[nitroso(oxido)amino]piperidine-2-carboxylic acid (CID 10082699) is 1-[nitroso(oxido)amino]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[nitroso(oxido)amino]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[nitroso(oxido)amino]piperidine-2-carboxylic acid is O=NN([O-])N1CCCCC1C(=O)O.
What is the InChIKey of 1-[nitroso(oxido)amino]piperidine-2-carboxylic acid?
The InChIKey is ABYKHXCTSFDXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N3O4/c10-6(11)5-3-1-2-4-8(5)9(13)7-12/h5H,1-4H2,(H,10,11)/q-1.
What are the key properties of 1-[nitroso(oxido)amino]piperidine-2-carboxylic acid?
1-[nitroso(oxido)amino]piperidine-2-carboxylic acid has a molecular weight of 188.16 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[nitroso(oxido)amino]piperidine-2-carboxylic acid is sourced from PubChem (CID 10082699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).