trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride

C8H15ClFNO2 — CID 138991198

IUPACtrans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CC[C@@](F)(CN)C1.Cl
InChIInChI=1S/C8H14FNO2.ClH/c1-12-7(11)6-2-3-8(9,4-6)5-10;/h6H,2-5,10H2,1H3;1H/t6-,8+;/m1./s1
InChIKeyMIHRVCDIDAEXIA-HNJRQZNRSA-N
MW211.66 g/mol
LogP1.05
Rot. Bonds2

About trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride

trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride (PubChem CID 138991198) has the molecular formula C8H15ClFNO2 and a molecular weight of 211.66 g/mol. Its IUPAC name is trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametrans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride
PubChem CID138991198
Molecular FormulaC8H15ClFNO2
Molecular Weight211.66 g/mol
Exact Mass211.08
IUPAC Nametrans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CC[C@@](F)(CN)C1.Cl
InChIInChI=1S/C8H14FNO2.ClH/c1-12-7(11)6-2-3-8(9,4-6)5-10;/h6H,2-5,10H2,1H3;1H/t6-,8+;/m1./s1
InChIKeyMIHRVCDIDAEXIA-HNJRQZNRSA-N
XLogP1.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(aminomethyl)-4-hydroxycyclohexane-1-carboxylate;hydrochloride
CID 75537501
methyl 2-ethylspiro[2.5]octane-6-carboxylate
CID 141349397
methyl 2-oxaspiro[3.4]octane-6-carboxylate
CID 165356428
methyl (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylate
CID 99996163
cis-methyl (1R,2R)-4,4-difluoro-2-(hydroxymethyl)cyclohexane-1-carboxylate
CID 118309432
ethyl 4-(chlorosulfinylmethyl)-4-fluorocyclohexane-1-carboxylate
CID 165452802
methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate
CID 112535163
methyl 10-oxospiro[4.5]decane-3-carboxylate
CID 10536429
3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
CID 105455445
ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate
CID 71244310
methyl 3-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 154562144

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride (CID 138991198) is trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride is COC(=O)[C@@H]1CC[C@@](F)(CN)C1.Cl.
What is the InChIKey of trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride?
The InChIKey is MIHRVCDIDAEXIA-HNJRQZNRSA-N. The full InChI is InChI=1S/C8H14FNO2.ClH/c1-12-7(11)6-2-3-8(9,4-6)5-10;/h6H,2-5,10H2,1H3;1H/t6-,8+;/m1./s1.
What are the key properties of trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride?
trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride has a molecular weight of 211.66 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 138991198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).