2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid

C15H26N2O4 — CID 114829398

IUPAC2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCOC1CC(N)(C(=O)NC2CCCC2C(=O)O)C1(C)C
InChIInChI=1S/C15H26N2O4/c1-4-21-11-8-15(16,14(11,2)3)13(20)17-10-7-5-6-9(10)12(18)19/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyCEMNZQREPHSXSF-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.89
Rot. Bonds5

About 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid

2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 114829398) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID114829398
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCOC1CC(N)(C(=O)NC2CCCC2C(=O)O)C1(C)C
InChIInChI=1S/C15H26N2O4/c1-4-21-11-8-15(16,14(11,2)3)13(20)17-10-7-5-6-9(10)12(18)19/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyCEMNZQREPHSXSF-UHFFFAOYSA-N
XLogP0.89
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829173
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
1-amino-3-ethoxy-2,2-dimethyl-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 104979713
1-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827861
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
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
4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 114829523
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458
1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide
CID 106135055
1-amino-3-ethoxy-N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylcyclobutane-1-carboxamide
CID 114829130

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid (CID 114829398) is 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid is CCOC1CC(N)(C(=O)NC2CCCC2C(=O)O)C1(C)C.
What is the InChIKey of 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is CEMNZQREPHSXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-21-11-8-15(16,14(11,2)3)13(20)17-10-7-5-6-9(10)12(18)19/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114829398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).