ethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate

C8H16N2O3 — CID 21149598

IUPACethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](N)[C@@H](O)C1
InChIInChI=1S/C8H16N2O3/c1-2-13-8(12)10-4-3-6(9)7(11)5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m1/s1
InChIKeyTVTJWRDQBQQKIX-RQJHMYQMSA-N
MW188.23 g/mol
LogP-0.46
Rot. Bonds1

About ethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate

ethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate (PubChem CID 21149598) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
PubChem CID21149598
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](N)[C@@H](O)C1
InChIInChI=1S/C8H16N2O3/c1-2-13-8(12)10-4-3-6(9)7(11)5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m1/s1
InChIKeyTVTJWRDQBQQKIX-RQJHMYQMSA-N
XLogP-0.46
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of ethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate (CID 21149598) is ethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for ethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate is CCOC(=O)N1CC[C@@H](N)[C@@H](O)C1.
What is the InChIKey of ethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate?
The InChIKey is TVTJWRDQBQQKIX-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-13-8(12)10-4-3-6(9)7(11)5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m1/s1.
What are the key properties of ethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate?
ethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate has a molecular weight of 188.23 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 21149598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).