(2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid

C6H13N5O4 — CID 135409365

IUPAC(2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid
SMILESN/C(=N/[N+](=O)[O-])NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
InChIKeyMRAUNPAHJZDYCK-BYPYZUCNSA-N
MW219.20 g/mol
LogP-1.73
Rot. Bonds6

About (2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid

(2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid (PubChem CID 135409365) has the molecular formula C6H13N5O4 and a molecular weight of 219.20 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid
PubChem CID135409365
Molecular FormulaC6H13N5O4
Molecular Weight219.20 g/mol
Exact Mass219.10
IUPAC Name(2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid
SMILESN/C(=N/[N+](=O)[O-])NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
InChIKeyMRAUNPAHJZDYCK-BYPYZUCNSA-N
XLogP-1.73
TPSA156.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid
CID 131884668
2-[[(E)-N'-nitrocarbamimidoyl]amino]ethylcarbamic acid
CID 155227498
1-butyl-2-nitroguanidine
CID 135996675
N-[(4S)-4-amino-4-carboxybutyl]carbamate
CID 153456088
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
1-[(4S)-4-amino-5-(3-aminopropylamino)pentyl]-2-nitroguanidine;2,2,2-trifluoroacetic acid
CID 135440035
2-amino-6-[[(Z)-N'-nitrocarbamimidoyl]amino]-N-(1-phenylpropan-2-yl)hexanamide
CID 153352397
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-5-[[(E)-N'-nitrocarbamimidoyl]amino]pentanoate
CID 135996673
(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
2-amino-6-(6-nitrooxyhexoxycarbonylamino)hexanoic acid
CID 59287757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid (CID 135409365) is (2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid is N/C(=N/[N+](=O)[O-])NCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid?
The InChIKey is MRAUNPAHJZDYCK-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid?
(2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid has a molecular weight of 219.20 g/mol, XLogP of -1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid is sourced from PubChem (CID 135409365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).