(3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid

C10H16F2N2O3 — CID 166247639

IUPAC(3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid
SMILESC[C@H](CC(=O)O)NC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2N2O3/c1-7(6-8(15)16)13-9(17)14-4-2-10(11,12)3-5-14/h7H,2-6H2,1H3,(H,13,17)(H,15,16)/t7-/m1/s1
InChIKeyYBCBQTUJOSFOQB-SSDOTTSWSA-N
MW250.24 g/mol
LogP1.29
Rot. Bonds3

About (3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid

(3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 166247639) has the molecular formula C10H16F2N2O3 and a molecular weight of 250.24 g/mol. Its IUPAC name is (3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid
PubChem CID166247639
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name(3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid
SMILESC[C@H](CC(=O)O)NC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2N2O3/c1-7(6-8(15)16)13-9(17)14-4-2-10(11,12)3-5-14/h7H,2-6H2,1H3,(H,13,17)(H,15,16)/t7-/m1/s1
InChIKeyYBCBQTUJOSFOQB-SSDOTTSWSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of (3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid (CID 166247639) is (3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for (3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for (3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid is C[C@H](CC(=O)O)NC(=O)N1CCC(F)(F)CC1.
What is the InChIKey of (3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is YBCBQTUJOSFOQB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16F2N2O3/c1-7(6-8(15)16)13-9(17)14-4-2-10(11,12)3-5-14/h7H,2-6H2,1H3,(H,13,17)(H,15,16)/t7-/m1/s1.
What are the key properties of (3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid?
(3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 250.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4,4-difluoropiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 166247639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).