nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate

C6H8N4O3 — CID 87399631

IUPACnitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)ON=O
InChIInChI=1S/C6H8N4O3/c7-5(6(11)13-10-12)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)/t5-/m0/s1
InChIKeyDMKBYARIMOGPOF-YFKPBYRVSA-N
MW184.16 g/mol
LogP-0.50
Rot. Bonds4

About nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate

nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate (PubChem CID 87399631) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Namenitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID87399631
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Namenitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)ON=O
InChIInChI=1S/C6H8N4O3/c7-5(6(11)13-10-12)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)/t5-/m0/s1
InChIKeyDMKBYARIMOGPOF-YFKPBYRVSA-N
XLogP-0.50
TPSA110.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57179687
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
chloro (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57466385
2-amino-3-(1H-imidazol-5-yl)propanoic acid;molybdenum
CID 174573236
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
CID 25021753
[(2S)-2-aminopropanoyl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57177492
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124498
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499

Frequently Asked Questions

What is the IUPAC name of nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate (CID 87399631) is nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate is N[C@@H](Cc1cnc[nH]1)C(=O)ON=O.
What is the InChIKey of nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is DMKBYARIMOGPOF-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8N4O3/c7-5(6(11)13-10-12)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)/t5-/m0/s1.
What are the key properties of nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 184.16 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 87399631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).