cis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate

C13H25NO2 — CID 69059648

IUPACcis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1CCC[C@H]1NCCC(C)C
InChIInChI=1S/C13H25NO2/c1-4-16-13(15)11-6-5-7-12(11)14-9-8-10(2)3/h10-12,14H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyXWGWKLXEOIBKHD-NWDGAFQWSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds6

About cis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate

cis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate (PubChem CID 69059648) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is cis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate
PubChem CID69059648
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namecis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1CCC[C@H]1NCCC(C)C
InChIInChI=1S/C13H25NO2/c1-4-16-13(15)11-6-5-7-12(11)14-9-8-10(2)3/h10-12,14H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyXWGWKLXEOIBKHD-NWDGAFQWSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-ethyl (1R,2S)-2-(3,3-dimethylbutylamino)cyclohexane-1-carboxylate
CID 69059566
ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
CID 89296898
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate
CID 91329381
trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate
CID 66658187
2-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 63277629
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
ethyl (2S)-2-propan-2-ylcyclohexane-1-carboxylate
CID 58682733
ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate
CID 22258605
cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 53393786
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate (CID 69059648) is cis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate is CCOC(=O)[C@H]1CCC[C@H]1NCCC(C)C.
What is the InChIKey of cis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate?
The InChIKey is XWGWKLXEOIBKHD-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-16-13(15)11-6-5-7-12(11)14-9-8-10(2)3/h10-12,14H,4-9H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of cis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate?
cis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 69059648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).