5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid

C5H8N4O3 — CID 172757704

IUPAC5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid
SMILESNC(=O)NC1CN=CN1C(=O)O
InChIInChI=1S/C5H8N4O3/c6-4(10)8-3-1-7-2-9(3)5(11)12/h2-3H,1H2,(H,11,12)(H3,6,8,10)
InChIKeyLGHDHIGYXPRVQW-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.00
Rot. Bonds1

About 5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid

5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid (PubChem CID 172757704) has the molecular formula C5H8N4O3 and a molecular weight of 172.14 g/mol. Its IUPAC name is 5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid.

Molecular Properties

Compound Name5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid
PubChem CID172757704
Molecular FormulaC5H8N4O3
Molecular Weight172.14 g/mol
Exact Mass172.06
IUPAC Name5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid
SMILESNC(=O)NC1CN=CN1C(=O)O
InChIInChI=1S/C5H8N4O3/c6-4(10)8-3-1-7-2-9(3)5(11)12/h2-3H,1H2,(H,11,12)(H3,6,8,10)
InChIKeyLGHDHIGYXPRVQW-UHFFFAOYSA-N
XLogP-1.00
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid?
The IUPAC name of 5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid (CID 172757704) is 5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid.
What is the SMILES notation for 5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid?
The canonical SMILES for 5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid is NC(=O)NC1CN=CN1C(=O)O.
What is the InChIKey of 5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid?
The InChIKey is LGHDHIGYXPRVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3/c6-4(10)8-3-1-7-2-9(3)5(11)12/h2-3H,1H2,(H,11,12)(H3,6,8,10).
What are the key properties of 5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid?
5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid has a molecular weight of 172.14 g/mol, XLogP of -1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid is sourced from PubChem (CID 172757704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).