(3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid

C11H22N2O3 — CID 66707650

IUPAC(3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid
SMILESCCCO[C@H]1CN(C(=O)O)CC[C@H]1NCC
InChIInChI=1S/C11H22N2O3/c1-3-7-16-10-8-13(11(14)15)6-5-9(10)12-4-2/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyWWBMBQAHZSGIAZ-ZJUUUORDSA-N
MW230.31 g/mol
LogP1.14
Rot. Bonds5

About (3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid

(3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid (PubChem CID 66707650) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid
PubChem CID66707650
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid
SMILESCCCO[C@H]1CN(C(=O)O)CC[C@H]1NCC
InChIInChI=1S/C11H22N2O3/c1-3-7-16-10-8-13(11(14)15)6-5-9(10)12-4-2/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyWWBMBQAHZSGIAZ-ZJUUUORDSA-N
XLogP1.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid?
The IUPAC name of (3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid (CID 66707650) is (3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid?
The canonical SMILES for (3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid is CCCO[C@H]1CN(C(=O)O)CC[C@H]1NCC.
What is the InChIKey of (3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid?
The InChIKey is WWBMBQAHZSGIAZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-7-16-10-8-13(11(14)15)6-5-9(10)12-4-2/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t9-,10+/m1/s1.
What are the key properties of (3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid?
(3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid has a molecular weight of 230.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(ethylamino)-3-propoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 66707650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).