ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate

C9H17FN2O2 — CID 153362138

IUPACethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate
SMILESCCOC(=O)CN[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C9H17FN2O2/c1-2-14-9(13)6-12-8-3-4-11-5-7(8)10/h7-8,11-12H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyNIHCLXFSEKMKAK-JGVFFNPUSA-N
MW204.24 g/mol
LogP-0.16
Rot. Bonds4

About ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate

ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate (PubChem CID 153362138) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate
PubChem CID153362138
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC Nameethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate
SMILESCCOC(=O)CN[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C9H17FN2O2/c1-2-14-9(13)6-12-8-3-4-11-5-7(8)10/h7-8,11-12H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyNIHCLXFSEKMKAK-JGVFFNPUSA-N
XLogP-0.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate (CID 153362138) is ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate is CCOC(=O)CN[C@@H]1CCNC[C@@H]1F.
What is the InChIKey of ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate?
The InChIKey is NIHCLXFSEKMKAK-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17FN2O2/c1-2-14-9(13)6-12-8-3-4-11-5-7(8)10/h7-8,11-12H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate?
ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate has a molecular weight of 204.24 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate is sourced from PubChem (CID 153362138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).