2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid

C10H16F3NO5 — CID 106705012

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid
SMILESCC(C)(C)OC(=O)NC(COCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H16F3NO5/c1-9(2,3)19-8(17)14-6(7(15)16)4-18-5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyZYKJIQMLTCQHEM-UHFFFAOYSA-N
MW287.23 g/mol
LogP1.54
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid (PubChem CID 106705012) has the molecular formula C10H16F3NO5 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid
PubChem CID106705012
Molecular FormulaC10H16F3NO5
Molecular Weight287.23 g/mol
Exact Mass287.10
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid
SMILESCC(C)(C)OC(=O)NC(COCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H16F3NO5/c1-9(2,3)19-8(17)14-6(7(15)16)4-18-5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyZYKJIQMLTCQHEM-UHFFFAOYSA-N
XLogP1.54
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[tert-butoxycarbonyl]-L-serine
CID 98766
N-Boc-D-serine methyl ester
CID 377723
Diethyl 2-((tert-butoxycarbonyl)amino)malonate
CID 382219
N-Boc-L-serine methyl ester
CID 7019177
(R)-2-tert-butoxycarbonylamino-3-hydroxy propionic acid
CID 637603
(2S)-3-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
CID 7017896
2-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoic acid
CID 294907
Methyl N-(tert-butoxycarbonyl)serinate
CID 495564
(2S,3R)-3-(tert-butoxy)-2-(((tert-butoxy)carbonyl)amino)butanoic acid
CID 7015770
(2S)-2-(((tert-butoxy)carbonyl)amino)-3-methoxypropanoic acid
CID 7016354
2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid
CID 11011022
ethyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoate
CID 13819295

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid (CID 106705012) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid is CC(C)(C)OC(=O)NC(COCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid?
The InChIKey is ZYKJIQMLTCQHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO5/c1-9(2,3)19-8(17)14-6(7(15)16)4-18-5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid has a molecular weight of 287.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,2,2-trifluoroethoxy)propanoic acid is sourced from PubChem (CID 106705012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).