(2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid

C7H16N6O6 — CID 131884668

IUPAC(2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid
SMILESNC(N)=NC(=O)NCCC[C@H](N)C(=O)O.O=[N+]([O-])O
InChIInChI=1S/C7H15N5O3.HNO3/c8-4(5(13)14)2-1-3-11-7(15)12-6(9)10;2-1(3)4/h4H,1-3,8H2,(H,13,14)(H5,9,10,11,12,15);(H,2,3,4)/t4-;/m0./s1
InChIKeyZDZBCMKPURPRDM-WCCKRBBISA-N
MW280.24 g/mol
LogP-2.19
Rot. Bonds5

About (2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid

(2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid (PubChem CID 131884668) has the molecular formula C7H16N6O6 and a molecular weight of 280.24 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid
PubChem CID131884668
Molecular FormulaC7H16N6O6
Molecular Weight280.24 g/mol
Exact Mass280.11
IUPAC Name(2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid
SMILESNC(N)=NC(=O)NCCC[C@H](N)C(=O)O.O=[N+]([O-])O
InChIInChI=1S/C7H15N5O3.HNO3/c8-4(5(13)14)2-1-3-11-7(15)12-6(9)10;2-1(3)4/h4H,1-3,8H2,(H,13,14)(H5,9,10,11,12,15);(H,2,3,4)/t4-;/m0./s1
InChIKeyZDZBCMKPURPRDM-WCCKRBBISA-N
XLogP-2.19
TPSA220.19 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.24
LogP ≤ 5-2.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid
CID 135409365
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)
CID 86628840
N-[(4S)-4-amino-4-carboxybutyl]carbamate
CID 153456088
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
(2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid)
CID 86628847
(2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid
CID 101417077
calcium;bis((2S)-2-amino-5-(carbamoylamino)pentanoate);tetrakis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);titanium
CID 169088109
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;2-amino-4-(diaminomethylideneamino)oxybutanoic acid
CID 88741926
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2,5-diaminopentanoic acid
CID 122669620
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
(2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid
CID 87358658

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid?
The IUPAC name of (2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid (CID 131884668) is (2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid is NC(N)=NC(=O)NCCC[C@H](N)C(=O)O.O=[N+]([O-])O.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid?
The InChIKey is ZDZBCMKPURPRDM-WCCKRBBISA-N. The full InChI is InChI=1S/C7H15N5O3.HNO3/c8-4(5(13)14)2-1-3-11-7(15)12-6(9)10;2-1(3)4/h4H,1-3,8H2,(H,13,14)(H5,9,10,11,12,15);(H,2,3,4)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid?
(2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid has a molecular weight of 280.24 g/mol, XLogP of -2.19, 5 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid is sourced from PubChem (CID 131884668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).