1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid

C7H10N2O5 — CID 130020232

IUPAC1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid
SMILESNC(=O)NC1(C(=O)O)CCC1C(=O)O
InChIInChI=1S/C7H10N2O5/c8-6(14)9-7(5(12)13)2-1-3(7)4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H3,8,9,14)
InChIKeyAASULUIJIVVZDK-UHFFFAOYSA-N
MW202.17 g/mol
LogP-1.03
Rot. Bonds3

About 1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid

1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid (PubChem CID 130020232) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid
PubChem CID130020232
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid
SMILESNC(=O)NC1(C(=O)O)CCC1C(=O)O
InChIInChI=1S/C7H10N2O5/c8-6(14)9-7(5(12)13)2-1-3(7)4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H3,8,9,14)
InChIKeyAASULUIJIVVZDK-UHFFFAOYSA-N
XLogP-1.03
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid?
The IUPAC name of 1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid (CID 130020232) is 1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid?
The canonical SMILES for 1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid is NC(=O)NC1(C(=O)O)CCC1C(=O)O.
What is the InChIKey of 1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid?
The InChIKey is AASULUIJIVVZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c8-6(14)9-7(5(12)13)2-1-3(7)4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H3,8,9,14).
What are the key properties of 1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid?
1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid has a molecular weight of 202.17 g/mol, XLogP of -1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid is sourced from PubChem (CID 130020232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).