1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide

C15H25N3O2 — CID 114829173

IUPAC1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC2CCCC2C#N)C1(C)C
InChIInChI=1S/C15H25N3O2/c1-4-20-12-8-15(17,14(12,2)3)13(19)18-11-7-5-6-10(11)9-16/h10-12H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyMMTKWAVMDNJKDI-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.33
Rot. Bonds4

About 1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide

1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 114829173) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID114829173
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC2CCCC2C#N)C1(C)C
InChIInChI=1S/C15H25N3O2/c1-4-20-12-8-15(17,14(12,2)3)13(19)18-11-7-5-6-10(11)9-16/h10-12H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyMMTKWAVMDNJKDI-UHFFFAOYSA-N
XLogP1.33
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 114829398
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-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942
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
1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114829995
1-amino-3-ethoxy-2,2-dimethyl-N-pent-3-ynylcyclobutane-1-carboxamide
CID 114830110
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide (CID 114829173) is 1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NC2CCCC2C#N)C1(C)C.
What is the InChIKey of 1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is MMTKWAVMDNJKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-20-12-8-15(17,14(12,2)3)13(19)18-11-7-5-6-10(11)9-16/h10-12H,4-8,17H2,1-3H3,(H,18,19).
What are the key properties of 1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114829173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).