(2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate

C6H14N5O4+ — CID 6999895

IUPAC(2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate
SMILESN/C(N[N+](=O)[O-])=[NH+]\CCC[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/p+1/t4-/m1/s1
InChIKeyMRAUNPAHJZDYCK-SCSAIBSYSA-O
MW220.21 g/mol
LogP-5.70
Rot. Bonds6

About (2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate

(2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate (PubChem CID 6999895) has the molecular formula C6H14N5O4+ and a molecular weight of 220.21 g/mol. Its IUPAC name is (2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate.

Molecular Properties

Compound Name(2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate
PubChem CID6999895
Molecular FormulaC6H14N5O4+
Molecular Weight220.21 g/mol
Exact Mass220.10
IUPAC Name(2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate
SMILESN/C(N[N+](=O)[O-])=[NH+]\CCC[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/p+1/t4-/m1/s1
InChIKeyMRAUNPAHJZDYCK-SCSAIBSYSA-O
XLogP-5.70
TPSA162.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 5-5.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(4S)-4-azaniumyl-4-carboxybutyl]-(diaminomethylidene)azanium dinitrate
CID 139064900
[(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium
CID 6995104
[(4S)-4-azaniumyl-5-oxohexyl]-(diaminomethylidene)azanium
CID 146162325
(2S)-2-[[(2S)-2-azaniumyl-5-(diaminomethylideneazaniumyl)pentanoyl]amino]butanedioate
CID 7009611
2-azaniumyl-5-(azaniumylcarbonylamino)pentanoate
CID 140748256
2-azaniumyl-5-[diaminomethylidene(methyl)azaniumyl]pentanoate
CID 20723678
[(5S)-5-azaniumyl-6-methoxy-6-oxohexyl]-(diaminomethylidene)azanium
CID 9430167
(2S)-2-[[(2S)-2-azaniumyl-5-(diaminomethylideneazaniumyl)pentanoyl]amino]-4-methylpentanoate
CID 6992562
5-[[amino(azaniumyl)methyl]amino]-2-azaniumylpentanoate
CID 21354865
2,6-bis(azaniumyl)hexanoate
CID 5242389
(2S)-5-[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]azaniumyl-2-azaniumylpentanoate
CID 7408374
(2R)-5-[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]azaniumyl-2-azaniumylpentanoate
CID 7408376

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate?
The IUPAC name of (2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate (CID 6999895) is (2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate.
What is the SMILES notation for (2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate?
The canonical SMILES for (2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate is N/C(N[N+](=O)[O-])=[NH+]\CCC[C@@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate?
The InChIKey is MRAUNPAHJZDYCK-SCSAIBSYSA-O. The full InChI is InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/p+1/t4-/m1/s1.
What are the key properties of (2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate?
(2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate has a molecular weight of 220.21 g/mol, XLogP of -5.70, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[amino(nitramido)methylidene]azaniumyl-2-azaniumylpentanoate is sourced from PubChem (CID 6999895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).