trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate

C8H15NO2 — CID 84716638

IUPACtrans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CCC[C@H]1CN
InChIInChI=1S/C8H15NO2/c1-11-8(10)7-4-2-3-6(7)5-9/h6-7H,2-5,9H2,1H3/t6-,7-/m0/s1
InChIKeyYIGIXTPUHJVGNC-BQBZGAKWSA-N
MW157.21 g/mol
LogP0.53
Rot. Bonds2

About trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate

trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate (PubChem CID 84716638) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate
PubChem CID84716638
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nametrans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CCC[C@H]1CN
InChIInChI=1S/C8H15NO2/c1-11-8(10)7-4-2-3-6(7)5-9/h6-7H,2-5,9H2,1H3/t6-,7-/m0/s1
InChIKeyYIGIXTPUHJVGNC-BQBZGAKWSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
CID 173135455
cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
CID 55285846
methyl (2R)-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 15712735
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate
CID 106203035
methyl 2-[(dimethylamino)methyl]cyclohexane-1-carboxylate
CID 145395402
pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate
CID 102982666
methyl 3-amino-2-methoxycyclohexane-1-carboxylate
CID 131114031
trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
trans-methyl (1R,2R)-2-acetylcyclopentane-1-carboxylate
CID 131114083

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate (CID 84716638) is trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate is COC(=O)[C@H]1CCC[C@H]1CN.
What is the InChIKey of trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate?
The InChIKey is YIGIXTPUHJVGNC-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-11-8(10)7-4-2-3-6(7)5-9/h6-7H,2-5,9H2,1H3/t6-,7-/m0/s1.
What are the key properties of trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate?
trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 84716638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).