methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate

C13H21F2NO2 — CID 114226089

IUPACmethyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate
SMILESCOC(=O)C(CN)(CC1CCC(F)(F)C1)C1CC1
InChIInChI=1S/C13H21F2NO2/c1-18-11(17)12(8-16,10-2-3-10)6-9-4-5-13(14,15)7-9/h9-10H,2-8,16H2,1H3
InChIKeyGMWOJIDWDVXPOT-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.34
Rot. Bonds5

About methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate

methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate (PubChem CID 114226089) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate
PubChem CID114226089
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Namemethyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate
SMILESCOC(=O)C(CN)(CC1CCC(F)(F)C1)C1CC1
InChIInChI=1S/C13H21F2NO2/c1-18-11(17)12(8-16,10-2-3-10)6-9-4-5-13(14,15)7-9/h9-10H,2-8,16H2,1H3
InChIKeyGMWOJIDWDVXPOT-UHFFFAOYSA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate
CID 106489501
methyl 2-(aminomethyl)-4-butoxy-2-cyclopropylbutanoate
CID 106489481
1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol
CID 130487394
methyl 2-(aminomethyl)-2-cyclopropyl-4-thiophen-3-ylbutanoate
CID 106489509
2-(aminomethyl)-2-[(3,3-difluorocyclohexyl)methyl]-3-methylbutanoic acid
CID 114226085
methyl (2S)-2-[[(1S)-3,3-difluorocyclopentyl]methyl]butanoate
CID 58484957
1-amino-2-[(3,3-difluorocyclohexyl)methyl]-3,3-dimethylbutan-2-ol
CID 114224520
O-[(3,3-difluorocyclopentyl)methyl]hydroxylamine
CID 126974531
methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate
CID 106489566
methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
CID 106487865
3-[(3,3-difluorocyclopentyl)methyl]-3-hydroxy-2,2-dimethylpentanoic acid
CID 123297799
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate
CID 106489911

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate?
The IUPAC name of methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate (CID 114226089) is methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate?
The canonical SMILES for methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate is COC(=O)C(CN)(CC1CCC(F)(F)C1)C1CC1.
What is the InChIKey of methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate?
The InChIKey is GMWOJIDWDVXPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-18-11(17)12(8-16,10-2-3-10)6-9-4-5-13(14,15)7-9/h9-10H,2-8,16H2,1H3.
What are the key properties of methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate?
methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate has a molecular weight of 261.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate is sourced from PubChem (CID 114226089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).