4-amino-3-fluoropiperidine-1-carboxylic acid

C6H11FN2O2 — CID 66782220

IUPAC4-amino-3-fluoropiperidine-1-carboxylic acid
SMILESNC1CCN(C(=O)O)CC1F
InChIInChI=1S/C6H11FN2O2/c7-4-3-9(6(10)11)2-1-5(4)8/h4-5H,1-3,8H2,(H,10,11)
InChIKeyCAEZAVZPWJXUQP-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.04
Rot. Bonds

About 4-amino-3-fluoropiperidine-1-carboxylic acid

4-amino-3-fluoropiperidine-1-carboxylic acid (PubChem CID 66782220) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is 4-amino-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-fluoropiperidine-1-carboxylic acid
PubChem CID66782220
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Name4-amino-3-fluoropiperidine-1-carboxylic acid
SMILESNC1CCN(C(=O)O)CC1F
InChIInChI=1S/C6H11FN2O2/c7-4-3-9(6(10)11)2-1-5(4)8/h4-5H,1-3,8H2,(H,10,11)
InChIKeyCAEZAVZPWJXUQP-UHFFFAOYSA-N
XLogP0.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
3-fluoro-4-methylpiperidine-1-carboxylic acid
CID 87324536
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
3-fluoro-4-(methylamino)piperidine-1-carboxylic acid
CID 91177014
benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride
CID 129320025
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid
CID 142784571
(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid
CID 134278909
(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031
4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid
CID 66677317

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 4-amino-3-fluoropiperidine-1-carboxylic acid (CID 66782220) is 4-amino-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4-amino-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4-amino-3-fluoropiperidine-1-carboxylic acid is NC1CCN(C(=O)O)CC1F.
What is the InChIKey of 4-amino-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is CAEZAVZPWJXUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O2/c7-4-3-9(6(10)11)2-1-5(4)8/h4-5H,1-3,8H2,(H,10,11).
What are the key properties of 4-amino-3-fluoropiperidine-1-carboxylic acid?
4-amino-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 162.16 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 66782220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).