methyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C11H19F2NO4 — CID 53419536

IUPACmethyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)C(CC(C)(F)F)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19F2NO4/c1-10(2,3)18-9(16)14-7(8(15)17-5)6-11(4,12)13/h7H,6H2,1-5H3,(H,14,16)
InChIKeyXDDHRHFKTNUBLQ-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.10
Rot. Bonds4

About methyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

methyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 53419536) has the molecular formula C11H19F2NO4 and a molecular weight of 267.27 g/mol. Its IUPAC name is methyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID53419536
Molecular FormulaC11H19F2NO4
Molecular Weight267.27 g/mol
Exact Mass267.13
IUPAC Namemethyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)C(CC(C)(F)F)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19F2NO4/c1-10(2,3)18-9(16)14-7(8(15)17-5)6-11(4,12)13/h7H,6H2,1-5H3,(H,14,16)
InChIKeyXDDHRHFKTNUBLQ-UHFFFAOYSA-N
XLogP2.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.10
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
(R)-2-((tert-Butoxycarbonyl)amino)-5,5,5-trifluoropentanoic acid
CID 91756956
tert-Butyl 1,3-di(methoxycarbonyl)propylcarbamate
CID 12180112
Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoropropanoate
CID 14377419
2-{[(Tert-butoxy)carbonyl]amino}-4,4-difluoropentanoic acid
CID 19364752
2-{[(Tert-butoxy)carbonyl]amino}-5,5,5-trifluoro-3-methylpentanoic acid
CID 21902139
2-((Tert-butoxycarbonyl)amino)-5,5,5-trifluoropentanoic acid
CID 53401930

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of methyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 53419536) is methyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for methyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for methyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is COC(=O)C(CC(C)(F)F)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is XDDHRHFKTNUBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO4/c1-10(2,3)18-9(16)14-7(8(15)17-5)6-11(4,12)13/h7H,6H2,1-5H3,(H,14,16).
What are the key properties of methyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
methyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 267.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 53419536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).