ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate

C9H15F2NO2 — CID 138987441

IUPACethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate
SMILESCCOC(=O)C(N)CC1CC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c1-2-14-8(13)7(12)3-6-4-9(10,11)5-6/h6-7H,2-5,12H2,1H3
InChIKeyRZKDREAOPBUPHK-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.31
Rot. Bonds4

About ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate

ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate (PubChem CID 138987441) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate
PubChem CID138987441
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Nameethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate
SMILESCCOC(=O)C(N)CC1CC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c1-2-14-8(13)7(12)3-6-4-9(10,11)5-6/h6-7H,2-5,12H2,1H3
InChIKeyRZKDREAOPBUPHK-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-[(3,3-difluorocyclobutyl)methyl]propanedioate
CID 90081340
3-amino-4-(3,3-difluorocyclobutyl)butan-2-one
CID 142882728
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
ethyl 2-amino-3-[(3,3-difluorocyclohexyl)methylsulfanyl]propanoate
CID 114224116
2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 67123498
(3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate
CID 158542629
butyl 3,3-difluorocyclobutane-1-carboxylate
CID 59382823
2-amino-3-(3,3-difluorocyclopentyl)propanamide
CID 130487339
cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate
CID 57095228
ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate
CID 166888751
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
ethyl (2S)-2-amino-4-oxobutanoate
CID 174339605

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate (CID 138987441) is ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate is CCOC(=O)C(N)CC1CC(F)(F)C1.
What is the InChIKey of ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate?
The InChIKey is RZKDREAOPBUPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-2-14-8(13)7(12)3-6-4-9(10,11)5-6/h6-7H,2-5,12H2,1H3.
What are the key properties of ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate?
ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate has a molecular weight of 207.22 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate is sourced from PubChem (CID 138987441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).