(2S)-2-(4-fluoropiperidin-1-yl)propanoic acid

C8H14FNO2 — CID 129462975

IUPAC(2S)-2-(4-fluoropiperidin-1-yl)propanoic acid
SMILESC[C@@H](C(=O)O)N1CCC(F)CC1
InChIInChI=1S/C8H14FNO2/c1-6(8(11)12)10-4-2-7(9)3-5-10/h6-7H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyBVUJOAPSRFXADB-LURJTMIESA-N
MW175.20 g/mol
LogP0.89
Rot. Bonds2

About (2S)-2-(4-fluoropiperidin-1-yl)propanoic acid

(2S)-2-(4-fluoropiperidin-1-yl)propanoic acid (PubChem CID 129462975) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is (2S)-2-(4-fluoropiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-fluoropiperidin-1-yl)propanoic acid
PubChem CID129462975
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name(2S)-2-(4-fluoropiperidin-1-yl)propanoic acid
SMILESC[C@@H](C(=O)O)N1CCC(F)CC1
InChIInChI=1S/C8H14FNO2/c1-6(8(11)12)10-4-2-7(9)3-5-10/h6-7H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyBVUJOAPSRFXADB-LURJTMIESA-N
XLogP0.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Piperidin-1-yl)propanoic acid hydrochloride
CID 12455410
2-Piperidin-1-yl-propionic acid
CID 3152951
2-Methyl-2-(piperidin-1-yl)propanoic acid hydrochloride
CID 131876470
(2,6-Dimethyl-piperidin-1-yl)-acetic acid
CID 413180
2-Methyl-2-(piperidin-1-yl)propanoic acid
CID 19965467
2-(3-Methylpiperidin-1-yl)propanoic acid
CID 20985174
(4-Dimethylamino-piperidin-1-yl)-acetic acid
CID 43586193
2-(4-Fluoropiperidin-1-yl)acetic acid
CID 73554114
2-(4,4-Difluoropiperidin-1-yl)-2-methylpropanoic acid
CID 89692937
2-(3,3-Difluoropiperidin-1-yl)pentanoic acid
CID 129204748
2-[(5-Fluoro-1-propan-2-ylpiperidin-2-yl)methyl-methylamino]acetic acid
CID 153412245
2-[(1-Ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid
CID 166828238

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluoropiperidin-1-yl)propanoic acid?
The IUPAC name of (2S)-2-(4-fluoropiperidin-1-yl)propanoic acid (CID 129462975) is (2S)-2-(4-fluoropiperidin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(4-fluoropiperidin-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-(4-fluoropiperidin-1-yl)propanoic acid is C[C@@H](C(=O)O)N1CCC(F)CC1.
What is the InChIKey of (2S)-2-(4-fluoropiperidin-1-yl)propanoic acid?
The InChIKey is BVUJOAPSRFXADB-LURJTMIESA-N. The full InChI is InChI=1S/C8H14FNO2/c1-6(8(11)12)10-4-2-7(9)3-5-10/h6-7H,2-5H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-(4-fluoropiperidin-1-yl)propanoic acid?
(2S)-2-(4-fluoropiperidin-1-yl)propanoic acid has a molecular weight of 175.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluoropiperidin-1-yl)propanoic acid is sourced from PubChem (CID 129462975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).