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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Related Compounds

2-[4-amino-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-5-oxopentyl]-1-nitroguanidine;hydrochloride
CID 70087743
1-[4-(2-methoxyethyl)piperidin-1-yl]pentan-1-one
CID 90437878
ethyl 6-[4-[(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]piperazin-1-yl]hexanoate
CID 67639889
1-[3-[2-[2-[3-[[amino-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]methylidene]amino]propoxy]ethoxy]ethoxy]propyl]-2-[4-oxo-4-[4,7,10,13-tetrakis[4-[[amino-[3-[2-[2-[3-[[amino-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]methylidene]amino]propoxy]ethoxy]ethoxy]propylamino]methylidene]amino]butanoyl]-1,4,7,10,13-pentazacyclopentadec-1-yl]butyl]guanidine
CID 101237133
N-[1-(5-methoxypentanoyl)piperidin-4-yl]formamide
CID 155599544
ethyl 4-[[N'-(4-cyclopentylbutyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111814752
(2S)-5-[[amino(nitramido)methylidene]amino]-2-[5-(dithiolan-3-yl)pentanoylamino]pentanoic acid
CID 18346210
6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one
CID 170126914
1-nitro-2-(2,2,2-trinitroethyl)guanidine
CID 12938666
3-(1-octadec-9-enoylpiperidin-4-yl)propyl acetate
CID 154093740
ethyl (2S,4S)-1-[2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]-4-methylpiperidine-2-carboxylate
CID 133109099
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219

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).