benzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate

C15H18FNO3 — CID 13471582

IUPACbenzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate
SMILESCC(C)(F)C1C(=O)NC1CC(=O)OCc1ccccc1
InChIInChI=1S/C15H18FNO3/c1-15(2,16)13-11(17-14(13)19)8-12(18)20-9-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3,(H,17,19)
InChIKeyDHHALMWYKKQDRE-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.98
Rot. Bonds5

About benzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate

benzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate (PubChem CID 13471582) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is benzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate
PubChem CID13471582
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Namebenzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate
SMILESCC(C)(F)C1C(=O)NC1CC(=O)OCc1ccccc1
InChIInChI=1S/C15H18FNO3/c1-15(2,16)13-11(17-14(13)19)8-12(18)20-9-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3,(H,17,19)
InChIKeyDHHALMWYKKQDRE-UHFFFAOYSA-N
XLogP1.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-((1S,2R)-2-(benzyloxycarbonylamino)cyclobutanecarboxamido)pentanoate
CID 11537817
methyl 3-((1R,2S)-2-(benzyloxycarbonylamino)cyclobutanecarboxamido)propanoate
CID 21604546
Methyl 5-oxo-5-(1-phenylmethoxyhexadecan-2-ylamino)pentanoate
CID 44420219
Benzyl (R)-5-amino-4-((S)-2-aminopropanamido)-5-oxopentanoate oxalate
CID 12873811
Methyl (3S)-5-methyl-3-[[(phenylmethoxy)carbonyl]amino]hexanoate
CID 53673057
l-Alanyl-d-isoglutamine benzyl ester
CID 129691565
Benzyl 5-amino-4-[(2-amino-3-methylpentanoyl)amino]-5-oxopentanoate
CID 654510
tert-butyl (3S)-3-(phenylmethoxycarbonylamino)-6-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 11812069
benzyl (2S)-2-amino-5-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 11210443
(3RS,4RS)-3-[1(RS)-fluoroethyl]-2-oxoazetidine-4-yl-acetic acid benzylester
CID 13471581
benzyl (2S)-2-[[(2S)-5-(carbonofluoridoylamino)-2-methylpentanoyl]amino]propanoate
CID 58004502
benzyl 2-[(2R,3R)-3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate
CID 68116136

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate?
The IUPAC name of benzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate (CID 13471582) is benzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate?
The canonical SMILES for benzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate is CC(C)(F)C1C(=O)NC1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate?
The InChIKey is DHHALMWYKKQDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-15(2,16)13-11(17-14(13)19)8-12(18)20-9-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3,(H,17,19).
What are the key properties of benzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate?
benzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate has a molecular weight of 279.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3-(2-fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetate is sourced from PubChem (CID 13471582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).