ethyl 1-amino-3-cyanocyclopentane-1-carboxylate

C9H14N2O2 — CID 163217382

IUPACethyl 1-amino-3-cyanocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(C#N)C1
InChIInChI=1S/C9H14N2O2/c1-2-13-8(12)9(11)4-3-7(5-9)6-10/h7H,2-5,11H2,1H3
InChIKeyUZVDZYZJCNLQSB-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.57
Rot. Bonds2

About ethyl 1-amino-3-cyanocyclopentane-1-carboxylate

ethyl 1-amino-3-cyanocyclopentane-1-carboxylate (PubChem CID 163217382) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 1-amino-3-cyanocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-cyanocyclopentane-1-carboxylate
PubChem CID163217382
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethyl 1-amino-3-cyanocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(C#N)C1
InChIInChI=1S/C9H14N2O2/c1-2-13-8(12)9(11)4-3-7(5-9)6-10/h7H,2-5,11H2,1H3
InChIKeyUZVDZYZJCNLQSB-UHFFFAOYSA-N
XLogP0.57
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-ethyl (1S,3R)-3-cyano-1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 10912075
ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
CID 79649440
ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate
CID 79649290
ethyl 1-amino-3-butoxycyclopentane-1-carboxylate
CID 79648394
ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79650486
ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate
CID 79654989
trans-ethyl (1S,2R)-2-cyano-1-fluorocyclopropane-1-carboxylate
CID 134845665
ethyl 1-amino-3-(4-tert-butylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79647883
ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655725
ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79649236
ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79651264
ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563412

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-cyanocyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-cyanocyclopentane-1-carboxylate (CID 163217382) is ethyl 1-amino-3-cyanocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-cyanocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-cyanocyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(C#N)C1.
What is the InChIKey of ethyl 1-amino-3-cyanocyclopentane-1-carboxylate?
The InChIKey is UZVDZYZJCNLQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-13-8(12)9(11)4-3-7(5-9)6-10/h7H,2-5,11H2,1H3.
What are the key properties of ethyl 1-amino-3-cyanocyclopentane-1-carboxylate?
ethyl 1-amino-3-cyanocyclopentane-1-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-cyanocyclopentane-1-carboxylate is sourced from PubChem (CID 163217382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).