2-amino-4-nitrooxybutanoic acid;nitric acid

C4H9N3O8 — CID 87110695

IUPAC2-amino-4-nitrooxybutanoic acid;nitric acid
SMILESNC(CCO[N+](=O)[O-])C(=O)O.O=[N+]([O-])O
InChIInChI=1S/C4H8N2O5.HNO3/c5-3(4(7)8)1-2-11-6(9)10;2-1(3)4/h3H,1-2,5H2,(H,7,8);(H,2,3,4)
InChIKeyKPMOHYCXJGUINE-UHFFFAOYSA-N
MW227.13 g/mol
LogP-1.35
Rot. Bonds5

About 2-amino-4-nitrooxybutanoic acid;nitric acid

2-amino-4-nitrooxybutanoic acid;nitric acid (PubChem CID 87110695) has the molecular formula C4H9N3O8 and a molecular weight of 227.13 g/mol. Its IUPAC name is 2-amino-4-nitrooxybutanoic acid;nitric acid.

Molecular Properties

Compound Name2-amino-4-nitrooxybutanoic acid;nitric acid
PubChem CID87110695
Molecular FormulaC4H9N3O8
Molecular Weight227.13 g/mol
Exact Mass227.04
IUPAC Name2-amino-4-nitrooxybutanoic acid;nitric acid
SMILESNC(CCO[N+](=O)[O-])C(=O)O.O=[N+]([O-])O
InChIInChI=1S/C4H8N2O5.HNO3/c5-3(4(7)8)1-2-11-6(9)10;2-1(3)4/h3H,1-2,5H2,(H,7,8);(H,2,3,4)
InChIKeyKPMOHYCXJGUINE-UHFFFAOYSA-N
XLogP-1.35
TPSA179.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid)
CID 86628847
(2S)-2-amino-3-hydroxypropanoic acid;nitric acid
CID 172852587
2-amino-3-hydroxypropanoic acid;azane;nitric acid
CID 173259395
2-amino-6-(6-nitrooxyhexoxycarbonylamino)hexanoic acid
CID 59287757
2-amino-3-(5-nitrooxypentoxycarbonyloxy)propanoic acid
CID 59287601
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)
CID 86628840
2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid
CID 24496
(2S)-2-amino-4-oxalooxybutanoic acid
CID 46173773
2-amino-5-[2-(hydroxymethyl)-3-nitrooxypropoxy]-5-oxopentanoic acid
CID 143025545
(2S)-2-amino-5-(2,2-dimethyl-3-nitrooxypropoxy)-5-oxopentanoic acid;hydrochloride
CID 11162833
2-amino-4-(2,6-dibromo-4-nitrophenoxy)butanoic acid
CID 63033176

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-nitrooxybutanoic acid;nitric acid?
The IUPAC name of 2-amino-4-nitrooxybutanoic acid;nitric acid (CID 87110695) is 2-amino-4-nitrooxybutanoic acid;nitric acid.
What is the SMILES notation for 2-amino-4-nitrooxybutanoic acid;nitric acid?
The canonical SMILES for 2-amino-4-nitrooxybutanoic acid;nitric acid is NC(CCO[N+](=O)[O-])C(=O)O.O=[N+]([O-])O.
What is the InChIKey of 2-amino-4-nitrooxybutanoic acid;nitric acid?
The InChIKey is KPMOHYCXJGUINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O5.HNO3/c5-3(4(7)8)1-2-11-6(9)10;2-1(3)4/h3H,1-2,5H2,(H,7,8);(H,2,3,4).
What are the key properties of 2-amino-4-nitrooxybutanoic acid;nitric acid?
2-amino-4-nitrooxybutanoic acid;nitric acid has a molecular weight of 227.13 g/mol, XLogP of -1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-nitrooxybutanoic acid;nitric acid is sourced from PubChem (CID 87110695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).