amino(1H-imidazol-5-ylmethyl)carbamic acid

C5H8N4O2 — CID 90965305

IUPACamino(1H-imidazol-5-ylmethyl)carbamic acid
SMILESNN(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C5H8N4O2/c6-9(5(10)11)2-4-1-7-3-8-4/h1,3H,2,6H2,(H,7,8)(H,10,11)
InChIKeyLZEIIVNODYAQMF-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.24
Rot. Bonds2

About amino(1H-imidazol-5-ylmethyl)carbamic acid

amino(1H-imidazol-5-ylmethyl)carbamic acid (PubChem CID 90965305) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is amino(1H-imidazol-5-ylmethyl)carbamic acid.

Molecular Properties

Compound Nameamino(1H-imidazol-5-ylmethyl)carbamic acid
PubChem CID90965305
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Nameamino(1H-imidazol-5-ylmethyl)carbamic acid
SMILESNN(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C5H8N4O2/c6-9(5(10)11)2-4-1-7-3-8-4/h1,3H,2,6H2,(H,7,8)(H,10,11)
InChIKeyLZEIIVNODYAQMF-UHFFFAOYSA-N
XLogP-0.24
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino(1H-imidazol-5-ylmethyl)carbamic acid?
The IUPAC name of amino(1H-imidazol-5-ylmethyl)carbamic acid (CID 90965305) is amino(1H-imidazol-5-ylmethyl)carbamic acid.
What is the SMILES notation for amino(1H-imidazol-5-ylmethyl)carbamic acid?
The canonical SMILES for amino(1H-imidazol-5-ylmethyl)carbamic acid is NN(Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of amino(1H-imidazol-5-ylmethyl)carbamic acid?
The InChIKey is LZEIIVNODYAQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-9(5(10)11)2-4-1-7-3-8-4/h1,3H,2,6H2,(H,7,8)(H,10,11).
What are the key properties of amino(1H-imidazol-5-ylmethyl)carbamic acid?
amino(1H-imidazol-5-ylmethyl)carbamic acid has a molecular weight of 156.15 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(1H-imidazol-5-ylmethyl)carbamic acid is sourced from PubChem (CID 90965305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).