ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate

C12H23NO3 — CID 79649440

IUPACethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(OCC(C)C)C1
InChIInChI=1S/C12H23NO3/c1-4-15-11(14)12(13)6-5-10(7-12)16-8-9(2)3/h9-10H,4-8,13H2,1-3H3
InChIKeyTXCIHSCPOIVUDB-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.47
Rot. Bonds5

About ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate

ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate (PubChem CID 79649440) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
PubChem CID79649440
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(OCC(C)C)C1
InChIInChI=1S/C12H23NO3/c1-4-15-11(14)12(13)6-5-10(7-12)16-8-9(2)3/h9-10H,4-8,13H2,1-3H3
InChIKeyTXCIHSCPOIVUDB-UHFFFAOYSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate
CID 79649290
ethyl 1-amino-3-butoxycyclopentane-1-carboxylate
CID 79648394
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-cyanocyclopentane-1-carboxylate
CID 163217382
ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate
CID 79649248
ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655068
ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate
CID 79655748
methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate
CID 114208559
ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate
CID 79654989
ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563412
ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 103284950

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate (CID 79649440) is ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(OCC(C)C)C1.
What is the InChIKey of ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate?
The InChIKey is TXCIHSCPOIVUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-15-11(14)12(13)6-5-10(7-12)16-8-9(2)3/h9-10H,4-8,13H2,1-3H3.
What are the key properties of ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate?
ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79649440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).