2,2-bis(carbamoylamino)acetic acid

C4H8N4O4 — CID 203

IUPAC2,2-bis(carbamoylamino)acetic acid
SMILESNC(=O)NC(NC(N)=O)C(=O)O
InChIInChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
InChIKeyNUCLJNSWZCHRKL-UHFFFAOYSA-N
MW176.13 g/mol
LogP-2.27
Rot. Bonds3

About 2,2-bis(carbamoylamino)acetic acid

2,2-bis(carbamoylamino)acetic acid (PubChem CID 203) has the molecular formula C4H8N4O4 and a molecular weight of 176.13 g/mol. Its IUPAC name is 2,2-bis(carbamoylamino)acetic acid.

Molecular Properties

Compound Name2,2-bis(carbamoylamino)acetic acid
PubChem CID203
Molecular FormulaC4H8N4O4
Molecular Weight176.13 g/mol
Exact Mass176.05
IUPAC Name2,2-bis(carbamoylamino)acetic acid
SMILESNC(=O)NC(NC(N)=O)C(=O)O
InChIInChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
InChIKeyNUCLJNSWZCHRKL-UHFFFAOYSA-N
XLogP-2.27
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 5-2.27
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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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(carbamoylamino)acetic acid?
The IUPAC name of 2,2-bis(carbamoylamino)acetic acid (CID 203) is 2,2-bis(carbamoylamino)acetic acid.
What is the SMILES notation for 2,2-bis(carbamoylamino)acetic acid?
The canonical SMILES for 2,2-bis(carbamoylamino)acetic acid is NC(=O)NC(NC(N)=O)C(=O)O.
What is the InChIKey of 2,2-bis(carbamoylamino)acetic acid?
The InChIKey is NUCLJNSWZCHRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12).
What are the key properties of 2,2-bis(carbamoylamino)acetic acid?
2,2-bis(carbamoylamino)acetic acid has a molecular weight of 176.13 g/mol, XLogP of -2.27, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(carbamoylamino)acetic acid is sourced from PubChem (CID 203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).