[(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium

C4H9N4O2+ — CID 169436389

IUPAC[(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium
SMILESN=[N+]=[15N][13CH2][13CH2][13C@@H]([15NH2])[13C](=O)O
InChIInChI=1S/C4H8N4O2/c5-3(4(9)10)1-2-7-8-6/h3,6H,1-2,5H2/p+1/t3-/m1/s1/i1+1,2+1,3+1,4+1,5+1,7+1
InChIKeyZYCQYIKWMNNPJE-FUEDKINFSA-O
MW151.10 g/mol
LogP-0.66
Rot. Bonds4

About [(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium

[(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium (PubChem CID 169436389) has the molecular formula C4H9N4O2+ and a molecular weight of 151.10 g/mol. Its IUPAC name is [(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium.

Molecular Properties

Compound Name[(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium
PubChem CID169436389
Molecular FormulaC4H9N4O2+
Molecular Weight151.10 g/mol
Exact Mass151.08
IUPAC Name[(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium
SMILESN=[N+]=[15N][13CH2][13CH2][13C@@H]([15NH2])[13C](=O)O
InChIInChI=1S/C4H8N4O2/c5-3(4(9)10)1-2-7-8-6/h3,6H,1-2,5H2/p+1/t3-/m1/s1/i1+1,2+1,3+1,4+1,5+1,7+1
InChIKeyZYCQYIKWMNNPJE-FUEDKINFSA-O
XLogP-0.66
TPSA113.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.10
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-amino-3-carboxypropyl]imino-iminoazanium
CID 137348962
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-4-(diaminomethylideneamino)butanoic acid
CID 11389551
2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,4-diaminobutanoic acid
CID 158725018
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-4-(hydrazinylmethylideneamino)butanoic acid
CID 3014815
(2S)-2,6,6-triamino-5-oxohexanoic acid
CID 89066239
CID 59325926
CID 59325926
2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid
CID 146263248
(2R)-2-amino(311C)pentanoic acid
CID 55291456

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium?
The IUPAC name of [(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium (CID 169436389) is [(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium.
What is the SMILES notation for [(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium?
The canonical SMILES for [(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium is N=[N+]=[15N][13CH2][13CH2][13C@@H]([15NH2])[13C](=O)O.
What is the InChIKey of [(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium?
The InChIKey is ZYCQYIKWMNNPJE-FUEDKINFSA-O. The full InChI is InChI=1S/C4H8N4O2/c5-3(4(9)10)1-2-7-8-6/h3,6H,1-2,5H2/p+1/t3-/m1/s1/i1+1,2+1,3+1,4+1,5+1,7+1.
What are the key properties of [(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium?
[(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium has a molecular weight of 151.10 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium is sourced from PubChem (CID 169436389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).