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

C11H19F2NO4 — CID 123794811

IUPAC2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(CC(C)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19F2NO4/c1-7(8(15)16)14(6-11(5,12)13)9(17)18-10(2,3)4/h7H,6H2,1-5H3,(H,15,16)
InChIKeyNCIYQBRZWVPWRD-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.35
Rot. Bonds4

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

2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (PubChem CID 123794811) has the molecular formula C11H19F2NO4 and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
PubChem CID123794811
Molecular FormulaC11H19F2NO4
Molecular Weight267.27 g/mol
Exact Mass267.13
IUPAC Name2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(CC(C)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19F2NO4/c1-7(8(15)16)14(6-11(5,12)13)9(17)18-10(2,3)4/h7H,6H2,1-5H3,(H,15,16)
InChIKeyNCIYQBRZWVPWRD-UHFFFAOYSA-N
XLogP2.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(((Tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 4436857
(2S)-2-(((tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 7009590
(2S)-2-(((1,1-Dimethylethoxy)carbonyl)methylamino)butanoic acid
CID 15689337
2-{[(Tert-butoxy)carbonyl](cyclopropyl)amino}acetic acid
CID 22476118
2-{[(Tert-butoxy)carbonyl](propan-2-yl)amino}acetic acid
CID 10465935
2-{[(Tert-butoxy)carbonyl](ethyl)amino}propanoic acid
CID 20271889
2-(((Tert-butoxy)carbonyl)(cyclopropyl)amino)propanoic acid
CID 22928380
2-((Tert-butoxycarbonyl)(2,2,2-trifluoroethyl)amino)acetic acid
CID 54593256
(2R)-2-(((tert-butoxy)carbonyl)(methyl)amino)butanoic acid
CID 58615437
2-{[(Tert-butoxy)carbonyl](propyl)amino}propanoic acid
CID 64145887
1-[(Tert-butoxy)carbonyl]-3,3-difluoroazetidine-2-carboxylic acid
CID 73553996
2-(((Tert-butoxy)carbonyl)(methyl)amino)-4,4,4-trifluorobutanoic acid
CID 122703542

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The IUPAC name of 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (CID 123794811) is 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The canonical SMILES for 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is CC(C(=O)O)N(CC(C)(F)F)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The InChIKey is NCIYQBRZWVPWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO4/c1-7(8(15)16)14(6-11(5,12)13)9(17)18-10(2,3)4/h7H,6H2,1-5H3,(H,15,16).
What are the key properties of 2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid has a molecular weight of 267.27 g/mol, XLogP of 2.35, 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]propanoic acid is sourced from PubChem (CID 123794811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).