2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid

C11H23N7O5 — CID 175440426

IUPAC2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid
SMILESCC(C)C(NN=[N+]=[N-])C(=O)O.NC(=O)NCCCC(N)C(=O)O
InChIInChI=1S/C6H13N3O3.C5H10N4O2/c7-4(5(10)11)2-1-3-9-6(8)12;1-3(2)4(5(10)11)7-9-8-6/h4H,1-3,7H2,(H,10,11)(H3,8,9,12);3-4,7H,1-2H3,(H,10,11)
InChIKeyTWWNJCJDIJFZHN-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.24
Rot. Bonds9

About 2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid

2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid (PubChem CID 175440426) has the molecular formula C11H23N7O5 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid
PubChem CID175440426
Molecular FormulaC11H23N7O5
Molecular Weight333.35 g/mol
Exact Mass333.18
IUPAC Name2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid
SMILESCC(C)C(NN=[N+]=[N-])C(=O)O.NC(=O)NCCCC(N)C(=O)O
InChIInChI=1S/C6H13N3O3.C5H10N4O2/c7-4(5(10)11)2-1-3-9-6(8)12;1-3(2)4(5(10)11)7-9-8-6/h4H,1-3,7H2,(H,10,11)(H3,8,9,12);3-4,7H,1-2H3,(H,10,11)
InChIKeyTWWNJCJDIJFZHN-UHFFFAOYSA-N
XLogP-0.24
TPSA216.53 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;3-hydroxybutanoic acid
CID 90459681
2-amino-5-[(2-azidoacetyl)amino]pentanoic acid
CID 135352505
(2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid
CID 101417077
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
calcium;bis((2S)-2-amino-5-(carbamoylamino)pentanoate);tetrakis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);titanium
CID 169088109
bis(2-amino-5-(carbamoylamino)pentanoic acid);2-hydroxybutanedioic acid
CID 46189968
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;2-amino-4-(diaminomethylideneamino)oxybutanoic acid
CID 88741926
2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid
CID 46932128
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid?
The IUPAC name of 2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid (CID 175440426) is 2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid.
What is the SMILES notation for 2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid?
The canonical SMILES for 2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid is CC(C)C(NN=[N+]=[N-])C(=O)O.NC(=O)NCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid?
The InChIKey is TWWNJCJDIJFZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3.C5H10N4O2/c7-4(5(10)11)2-1-3-9-6(8)12;1-3(2)4(5(10)11)7-9-8-6/h4H,1-3,7H2,(H,10,11)(H3,8,9,12);3-4,7H,1-2H3,(H,10,11).
What are the key properties of 2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid?
2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid has a molecular weight of 333.35 g/mol, XLogP of -0.24, 9 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid is sourced from PubChem (CID 175440426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).