2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid

C10H17N3O6 — CID 72979312

IUPAC2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid
SMILESNC(CCC(=O)N1CCC(O[N+](=O)[O-])CC1)C(=O)O
InChIInChI=1S/C10H17N3O6/c11-8(10(15)16)1-2-9(14)12-5-3-7(4-6-12)19-13(17)18/h7-8H,1-6,11H2,(H,15,16)
InChIKeyOAQKVSOUQZWFEF-UHFFFAOYSA-N
MW275.26 g/mol
LogP-0.62
Rot. Bonds6

About 2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid

2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid (PubChem CID 72979312) has the molecular formula C10H17N3O6 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid
PubChem CID72979312
Molecular FormulaC10H17N3O6
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid
SMILESNC(CCC(=O)N1CCC(O[N+](=O)[O-])CC1)C(=O)O
InChIInChI=1S/C10H17N3O6/c11-8(10(15)16)1-2-9(14)12-5-3-7(4-6-12)19-13(17)18/h7-8H,1-6,11H2,(H,15,16)
InChIKeyOAQKVSOUQZWFEF-UHFFFAOYSA-N
XLogP-0.62
TPSA136.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-5-[3-(4-nitrooxypiperidin-1-yl)propoxy]-5-oxopentanoic acid;dihydrochloride
CID 69332828
(2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
CID 101056620
[1-(4-amino-4-methylpentanoyl)piperidin-4-yl] nitrate;(E)-but-2-enedioic acid
CID 158252236
(2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 139553940
4-[4-[(2S)-2-amino-2-carboxyethyl]piperidin-1-yl]-4-oxobutanoic acid
CID 177194425
4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride
CID 120561009
2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid
CID 165440343
6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid
CID 174933136
(2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid)
CID 86628847
5-amino-1-(4-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82017222
(2S)-5-[[(3aR,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-2-amino-5-oxopentanoic acid;hydrochloride
CID 11314297
2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid
CID 82851206

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid (CID 72979312) is 2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid is NC(CCC(=O)N1CCC(O[N+](=O)[O-])CC1)C(=O)O.
What is the InChIKey of 2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid?
The InChIKey is OAQKVSOUQZWFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O6/c11-8(10(15)16)1-2-9(14)12-5-3-7(4-6-12)19-13(17)18/h7-8H,1-6,11H2,(H,15,16).
What are the key properties of 2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid?
2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid has a molecular weight of 275.26 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 72979312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).