2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C10H17F2NO4 — CID 142194988

IUPAC2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(F)(F)CN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17F2NO4/c1-9(2,3)17-8(16)13(5-7(14)15)6-10(4,11)12/h5-6H2,1-4H3,(H,14,15)
InChIKeyJYFXSXVGCOLTTK-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.96
Rot. Bonds4

About 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 142194988) has the molecular formula C10H17F2NO4 and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID142194988
Molecular FormulaC10H17F2NO4
Molecular Weight253.24 g/mol
Exact Mass253.11
IUPAC Name2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(F)(F)CN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17F2NO4/c1-9(2,3)17-8(16)13(5-7(14)15)6-10(4,11)12/h5-6H2,1-4H3,(H,14,15)
InChIKeyJYFXSXVGCOLTTK-UHFFFAOYSA-N
XLogP1.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83692
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CID 12991451
2-{[(Tert-butoxy)carbonyl](2-methylpropyl)amino}acetic acid
CID 23033833
2-{[(Tert-butoxy)carbonyl](propan-2-yl)amino}acetic acid
CID 10465935
2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid
CID 12136629
2-((Tert-butoxycarbonyl)(2,2,2-trifluoroethyl)amino)acetic acid
CID 54593256
2-(((Tert-butoxy)carbonyl)(pentyl)amino)acetic acid
CID 87341033
2-{[(Tert-butoxy)carbonyl](2-methoxy-2-oxoethyl)amino}acetic acid
CID 87566391
2-(((Tert-butoxy)carbonyl)(methyl)amino)-4,4,4-trifluorobutanoic acid
CID 122703542
2-(((Tert-butoxy)carbonyl)(2-hydroxy-2-methylpropyl)amino)acetic acid
CID 155858872
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trifluoromethyl)amino]propanoic acid
CID 21060608

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 142194988) is 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is CC(F)(F)CN(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is JYFXSXVGCOLTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO4/c1-9(2,3)17-8(16)13(5-7(14)15)6-10(4,11)12/h5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 253.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 142194988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).