4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid

C15H24N2O4 — CID 114829523

IUPAC4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCCOC1CC(N)(C(=O)NC2C=CC(C(=O)O)C2)C1(C)C
InChIInChI=1S/C15H24N2O4/c1-4-21-11-8-15(16,14(11,2)3)13(20)17-10-6-5-9(7-10)12(18)19/h5-6,9-11H,4,7-8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyDQXSLAPYZDGLJG-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.66
Rot. Bonds5

About 4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 114829523) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID114829523
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCCOC1CC(N)(C(=O)NC2C=CC(C(=O)O)C2)C1(C)C
InChIInChI=1S/C15H24N2O4/c1-4-21-11-8-15(16,14(11,2)3)13(20)17-10-6-5-9(7-10)12(18)19/h5-6,9-11H,4,7-8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyDQXSLAPYZDGLJG-UHFFFAOYSA-N
XLogP0.66
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid with MolForge

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Related Compounds

1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 114829122
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclobutane-1-carboxamide
CID 114829539
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458
2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 114829398
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-2,2-dimethyl-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 104979713
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide
CID 107219003
1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 114828245
4-[(3-ethoxycyclobutyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 114120236
(2R)-2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-hydroxybutanoic acid
CID 107825130

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 114829523) is 4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid is CCOC1CC(N)(C(=O)NC2C=CC(C(=O)O)C2)C1(C)C.
What is the InChIKey of 4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is DQXSLAPYZDGLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-21-11-8-15(16,14(11,2)3)13(20)17-10-6-5-9(7-10)12(18)19/h5-6,9-11H,4,7-8,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 114829523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).