(2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid)

C5H13N5O12 — CID 86628847

IUPAC(2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid)
SMILESNC(=O)CC[C@H](N)C(=O)O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C5H10N2O3.3HNO3/c6-3(5(9)10)1-2-4(7)8;3*2-1(3)4/h3H,1-2,6H2,(H2,7,8)(H,9,10);3*(H,2,3,4)/t3-;;;/m0.../s1
InChIKeyXNRNIPBKXCQQKL-LHWPGRLPSA-N
MW335.18 g/mol
LogP-2.38
Rot. Bonds4

About (2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid)

(2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid) (PubChem CID 86628847) has the molecular formula C5H13N5O12 and a molecular weight of 335.18 g/mol. Its IUPAC name is (2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid).

Molecular Properties

Compound Name(2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid)
PubChem CID86628847
Molecular FormulaC5H13N5O12
Molecular Weight335.18 g/mol
Exact Mass335.06
IUPAC Name(2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid)
SMILESNC(=O)CC[C@H](N)C(=O)O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C5H10N2O3.3HNO3/c6-3(5(9)10)1-2-4(7)8;3*2-1(3)4/h3H,1-2,6H2,(H2,7,8)(H,9,10);3*(H,2,3,4)/t3-;;;/m0.../s1
InChIKeyXNRNIPBKXCQQKL-LHWPGRLPSA-N
XLogP-2.38
TPSA296.52 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.18
LogP ≤ 5-2.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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

2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308
potassium;sodium;2,5-diamino-5-oxopentanoic acid;hydride
CID 175449212
(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 160740452

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid)?
The IUPAC name of (2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid) (CID 86628847) is (2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid).
What is the SMILES notation for (2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid)?
The canonical SMILES for (2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid) is NC(=O)CC[C@H](N)C(=O)O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of (2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid)?
The InChIKey is XNRNIPBKXCQQKL-LHWPGRLPSA-N. The full InChI is InChI=1S/C5H10N2O3.3HNO3/c6-3(5(9)10)1-2-4(7)8;3*2-1(3)4/h3H,1-2,6H2,(H2,7,8)(H,9,10);3*(H,2,3,4)/t3-;;;/m0.../s1.
What are the key properties of (2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid)?
(2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid) has a molecular weight of 335.18 g/mol, XLogP of -2.38, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid) is sourced from PubChem (CID 86628847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).