4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

C12H19N3O4 — CID 106279258

IUPAC4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(C)(CNC(=O)NC1C=CC(C(=O)O)C1)C(N)=O
InChIInChI=1S/C12H19N3O4/c1-12(2,10(13)18)6-14-11(19)15-8-4-3-7(5-8)9(16)17/h3-4,7-8H,5-6H2,1-2H3,(H2,13,18)(H,16,17)(H2,14,15,19)
InChIKeyZDJBGVKEENXOJZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.17
Rot. Bonds5

About 4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 106279258) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID106279258
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(C)(CNC(=O)NC1C=CC(C(=O)O)C1)C(N)=O
InChIInChI=1S/C12H19N3O4/c1-12(2,10(13)18)6-14-11(19)15-8-4-3-7(5-8)9(16)17/h3-4,7-8H,5-6H2,1-2H3,(H2,13,18)(H,16,17)(H2,14,15,19)
InChIKeyZDJBGVKEENXOJZ-UHFFFAOYSA-N
XLogP-0.17
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 106279455
4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216361
4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216867
4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216090
4-(pentylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216817
4-(2-cyclopentylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216844
4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191671
4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79215980
2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide
CID 95583258
4-(oxan-4-ylmethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79210811
4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79191668
4-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79757554

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (CID 106279258) is 4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is CC(C)(CNC(=O)NC1C=CC(C(=O)O)C1)C(N)=O.
What is the InChIKey of 4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is ZDJBGVKEENXOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(2,10(13)18)6-14-11(19)15-8-4-3-7(5-8)9(16)17/h3-4,7-8H,5-6H2,1-2H3,(H2,13,18)(H,16,17)(H2,14,15,19).
What are the key properties of 4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 106279258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).