(3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

C11H18FNO4 — CID 86335726

IUPAC(3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H](F)C1
InChIInChI=1S/C11H18FNO4/c1-11(2,3)17-10(16)13-5-4-7(9(14)15)8(12)6-13/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m1/s1
InChIKeyVAXFBQGBIHPZCF-SFYZADRCSA-N
MW247.27 g/mol
LogP1.67
Rot. Bonds1

About (3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

(3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 86335726) has the molecular formula C11H18FNO4 and a molecular weight of 247.27 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID86335726
Molecular FormulaC11H18FNO4
Molecular Weight247.27 g/mol
Exact Mass247.12
IUPAC Name(3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H](F)C1
InChIInChI=1S/C11H18FNO4/c1-11(2,3)17-10(16)13-5-4-7(9(14)15)8(12)6-13/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m1/s1
InChIKeyVAXFBQGBIHPZCF-SFYZADRCSA-N
XLogP1.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-N-Boc-4-Piperidinecarboxylic acid methyl ester
CID 392870
1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
CID 392871
1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
[1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid
CID 1512539
1-(Methoxycarbonyl)piperidine-4-carboxylic acid
CID 1490569
4-Bromo-1-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid
CID 25271414
1-(Ethoxycarbonyl)-4-piperidinecarboxylic Acid
CID 6618886
1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 23282848
2-(1-((Tert-butoxy)carbonyl)piperidin-3-yl)acetic acid
CID 4115028
rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid
CID 1502006
(S)-2-(1-(tert-butoxycarbonyl)piperidin-3-yl)acetic acid
CID 1502084
2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 1502085

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of (3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 86335726) is (3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for (3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for (3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H](F)C1.
What is the InChIKey of (3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is VAXFBQGBIHPZCF-SFYZADRCSA-N. The full InChI is InChI=1S/C11H18FNO4/c1-11(2,3)17-10(16)13-5-4-7(9(14)15)8(12)6-13/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
(3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 247.27 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 86335726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).