ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate

C26H48N2O5 — CID 160631545

IUPACethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(N)CC1CC.CCOC(=O)C1CC(NC(=O)CC(C)(C)C)CC1CC
InChIInChI=1S/C16H29NO3.C10H19NO2/c1-6-11-8-12(9-13(11)15(19)20-7-2)17-14(18)10-16(3,4)5;1-3-7-5-8(11)6-9(7)10(12)13-4-2/h11-13H,6-10H2,1-5H3,(H,17,18);7-9H,3-6,11H2,1-2H3
InChIKeyRHZGSYDVTLEVPB-UHFFFAOYSA-N
MW468.68 g/mol
LogP4.22
Rot. Bonds8

About ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate

ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate (PubChem CID 160631545) has the molecular formula C26H48N2O5 and a molecular weight of 468.68 g/mol. Its IUPAC name is ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate
PubChem CID160631545
Molecular FormulaC26H48N2O5
Molecular Weight468.68 g/mol
Exact Mass468.36
IUPAC Nameethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(N)CC1CC.CCOC(=O)C1CC(NC(=O)CC(C)(C)C)CC1CC
InChIInChI=1S/C16H29NO3.C10H19NO2/c1-6-11-8-12(9-13(11)15(19)20-7-2)17-14(18)10-16(3,4)5;1-3-7-5-8(11)6-9(7)10(12)13-4-2/h11-13H,6-10H2,1-5H3,(H,17,18);7-9H,3-6,11H2,1-2H3
InChIKeyRHZGSYDVTLEVPB-UHFFFAOYSA-N
XLogP4.22
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.68
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate with MolForge

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Related Compounds

ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 161055882
4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid
CID 58010240
N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide
CID 159337962
ethyl (1S,2R,4S)-2-ethyl-4-(2-hydroxyethyl)cyclopentane-1-carboxylate
CID 86678539
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
2-[(1S,3S,4R)-3-ethoxycarbonyl-4-ethylcyclopentyl]acetic acid
CID 86678537
ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(dibenzylamino)-2-ethylcyclopentane-1-carboxylate
CID 161133830
N-(3-formylcyclobutyl)-3,3-dimethylbutanamide
CID 176762376
2-(3-ethoxycarbonyl-4-ethylcyclopentyl)acetic acid;ethyl 2-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
CID 161488616
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate
CID 13039526

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate (CID 160631545) is ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate is CCOC(=O)C1CC(N)CC1CC.CCOC(=O)C1CC(NC(=O)CC(C)(C)C)CC1CC.
What is the InChIKey of ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate?
The InChIKey is RHZGSYDVTLEVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3.C10H19NO2/c1-6-11-8-12(9-13(11)15(19)20-7-2)17-14(18)10-16(3,4)5;1-3-7-5-8(11)6-9(7)10(12)13-4-2/h11-13H,6-10H2,1-5H3,(H,17,18);7-9H,3-6,11H2,1-2H3.
What are the key properties of ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate?
ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate has a molecular weight of 468.68 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate is sourced from PubChem (CID 160631545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).