methyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C11H20FNO4 — CID 124634839

IUPACmethyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)[C@H](CCCF)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO4/c1-11(2,3)17-10(15)13-8(6-5-7-12)9(14)16-4/h8H,5-7H2,1-4H3,(H,13,15)/t8-/m0/s1
InChIKeyZXGZWEVPHSMUGQ-QMMMGPOBSA-N
MW249.28 g/mol
LogP1.80
Rot. Bonds5

About methyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

methyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 124634839) has the molecular formula C11H20FNO4 and a molecular weight of 249.28 g/mol. Its IUPAC name is methyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID124634839
Molecular FormulaC11H20FNO4
Molecular Weight249.28 g/mol
Exact Mass249.14
IUPAC Namemethyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)[C@H](CCCF)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO4/c1-11(2,3)17-10(15)13-8(6-5-7-12)9(14)16-4/h8H,5-7H2,1-4H3,(H,13,15)/t8-/m0/s1
InChIKeyZXGZWEVPHSMUGQ-QMMMGPOBSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(((Tert-butoxy)carbonyl)amino)pentanoic acid
CID 302433
(2S)-2-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 2733748
Dimethyl N-(tert-Butoxycarbonyl)-L-glutamate
CID 2734644
N-(tert-Butoxycarbonyl)-L-leucine methyl ester
CID 10879384
(2R)-2-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 6995000
Methyl (2S)-6-amino-2-(((tert-butoxy)carbonyl)amino)hexanoate hydrochloride
CID 18728485
(S)-tert-butyl 5-amino-2-((tert-butoxycarbonyl)amino)pentanoate hydrochloride
CID 56777057
(R)-2-((tert-Butoxycarbonyl)amino)-5,5,5-trifluoropentanoic acid
CID 91756956
Methyl 3-((tert-butoxy(hydroxy)methylidene)amino)-5-fluoro-4-oxopentanoate
CID 16760348
Methyl (3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-5-fluoro-4-oxopentanoate
CID 9881695
(S)-tert-Butyl 5-bromo-2-((tert-butoxycarbonyl)amino)pentanoate
CID 11142700
tert-Butyl 1,3-di(methoxycarbonyl)propylcarbamate
CID 12180112

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of methyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 124634839) is methyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for methyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for methyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is COC(=O)[C@H](CCCF)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is ZXGZWEVPHSMUGQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20FNO4/c1-11(2,3)17-10(15)13-8(6-5-7-12)9(14)16-4/h8H,5-7H2,1-4H3,(H,13,15)/t8-/m0/s1.
What are the key properties of methyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
methyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 249.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 124634839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).