2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate

C15H26N6O6 — CID 173253609

IUPAC2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate
SMILESNC(=O)C(=O)OCCC1CCN(C(=O)CCCC/N=C(\N)N[N+](=O)[O-])CC1
InChIInChI=1S/C15H26N6O6/c16-13(23)14(24)27-10-6-11-4-8-20(9-5-11)12(22)3-1-2-7-18-15(17)19-21(25)26/h11H,1-10H2,(H2,16,23)(H3,17,18,19)
InChIKeyQWXZNRXFGBPCMR-UHFFFAOYSA-N
MW386.41 g/mol
LogP-1.09
Rot. Bonds9

About 2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate

2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate (PubChem CID 173253609) has the molecular formula C15H26N6O6 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate.

Molecular Properties

Compound Name2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate
PubChem CID173253609
Molecular FormulaC15H26N6O6
Molecular Weight386.41 g/mol
Exact Mass386.19
IUPAC Name2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate
SMILESNC(=O)C(=O)OCCC1CCN(C(=O)CCCC/N=C(\N)N[N+](=O)[O-])CC1
InChIInChI=1S/C15H26N6O6/c16-13(23)14(24)27-10-6-11-4-8-20(9-5-11)12(22)3-1-2-7-18-15(17)19-21(25)26/h11H,1-10H2,(H2,16,23)(H3,17,18,19)
InChIKeyQWXZNRXFGBPCMR-UHFFFAOYSA-N
XLogP-1.09
TPSA183.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate?
The IUPAC name of 2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate (CID 173253609) is 2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate.
What is the SMILES notation for 2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate?
The canonical SMILES for 2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate is NC(=O)C(=O)OCCC1CCN(C(=O)CCCC/N=C(\N)N[N+](=O)[O-])CC1.
What is the InChIKey of 2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate?
The InChIKey is QWXZNRXFGBPCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O6/c16-13(23)14(24)27-10-6-11-4-8-20(9-5-11)12(22)3-1-2-7-18-15(17)19-21(25)26/h11H,1-10H2,(H2,16,23)(H3,17,18,19).
What are the key properties of 2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate?
2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate has a molecular weight of 386.41 g/mol, XLogP of -1.09, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[[amino(nitramido)methylidene]amino]pentanoyl]piperidin-4-yl]ethyl 2-amino-2-oxoacetate is sourced from PubChem (CID 173253609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).