CID 174427848

C4H12AlN4O6 — CID 174427848

IUPAC—
SMILESNC(=O)NC(NC(N)=O)C(=O)O.O.O.[Al]
InChIInChI=1S/C4H8N4O4.Al.2H2O/c5-3(11)7-1(2(9)10)8-4(6)12;;;/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12);;2*1H2
InChIKeyJIBUYQRGSCWVDY-UHFFFAOYSA-N
MW239.14 g/mol
LogP-4.30
Rot. Bonds3

About CID 174427848

CID 174427848 (PubChem CID 174427848) has the molecular formula C4H12AlN4O6 and a molecular weight of 239.14 g/mol.

Molecular Properties

Compound NameCID 174427848
PubChem CID174427848
Molecular FormulaC4H12AlN4O6
Molecular Weight239.14 g/mol
Exact Mass239.06
IUPAC Name—
SMILESNC(=O)NC(NC(N)=O)C(=O)O.O.O.[Al]
InChIInChI=1S/C4H8N4O4.Al.2H2O/c5-3(11)7-1(2(9)10)8-4(6)12;;;/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12);;2*1H2
InChIKeyJIBUYQRGSCWVDY-UHFFFAOYSA-N
XLogP-4.30
TPSA210.54 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 5-4.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(carbamoylamino)-2-chloroacetic acid
CID 171618791
dichloromethylurea
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(2S)-2-(carbamoylamino)pentanedioic acid;hydrate
CID 141207509
(2S)-2-(carbamoylamino)-2-methylsulfanylacetic acid
CID 93495433
3-(carbamoylamino)-2-fluoro-3-hydroxypropanoic acid
CID 139034450
1-cyanoethylurea
CID 61124202
2-(carbamoylamino)pent-4-ynoic acid
CID 56660957
(2S)-2-(carbamoylamino)pentanedioic acid;zinc
CID 174598695
(2S)-2-(carbamoylamino)pentanedioic acid;copper
CID 159494539
bis(carbamoylamino)methylphosphonic acid
CID 88731403
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
(2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid
CID 94065255

Frequently Asked Questions

What is the IUPAC name of CID 174427848?
The IUPAC name of CID 174427848 (CID 174427848) is not available.
What is the SMILES notation for CID 174427848?
The canonical SMILES for CID 174427848 is NC(=O)NC(NC(N)=O)C(=O)O.O.O.[Al].
What is the InChIKey of CID 174427848?
The InChIKey is JIBUYQRGSCWVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O4.Al.2H2O/c5-3(11)7-1(2(9)10)8-4(6)12;;;/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12);;2*1H2.
What are the key properties of CID 174427848?
CID 174427848 has a molecular weight of 239.14 g/mol, XLogP of -4.30, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174427848 is sourced from PubChem (CID 174427848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).