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

C10H20N2O3 — CID 66707578

IUPAC(3S,4R)-3-ethoxy-4-(ethylamino)piperidine-1-carboxylic acid
SMILESCCN[C@@H]1CCN(C(=O)O)C[C@@H]1OCC
InChIInChI=1S/C10H20N2O3/c1-3-11-8-5-6-12(10(13)14)7-9(8)15-4-2/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyPQSIFXLCEDYUOR-BDAKNGLRSA-N
MW216.28 g/mol
LogP0.75
Rot. Bonds4

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

(3S,4R)-3-ethoxy-4-(ethylamino)piperidine-1-carboxylic acid (PubChem CID 66707578) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (3S,4R)-3-ethoxy-4-(ethylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-3-ethoxy-4-(ethylamino)piperidine-1-carboxylic acid
PubChem CID66707578
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(3S,4R)-3-ethoxy-4-(ethylamino)piperidine-1-carboxylic acid
SMILESCCN[C@@H]1CCN(C(=O)O)C[C@@H]1OCC
InChIInChI=1S/C10H20N2O3/c1-3-11-8-5-6-12(10(13)14)7-9(8)15-4-2/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyPQSIFXLCEDYUOR-BDAKNGLRSA-N
XLogP0.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

t-Butyl N-[(3S,4R)-rel-3-hydroxypiperidin-4-yl]carbamate
CID 10703946
rac-tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
CID 10727458
(3S,4R)-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 25417269
tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134
tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 53396191
rac-tert-butyl N-((3R,4R)-3-hydroxypiperidin-4-yl)carbamate
CID 58745574
(3S,4R)-tert-Butyl 4-amino-3-hydroxypiperidine-1-carboxylate
CID 67372954
trans-4-Amino-1-boc-3-methoxypiperidine
CID 68054336
Tert-butyl 3-(2-aminoethyl)morpholine-4-carboxylate
CID 75355550
Tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate
CID 82385593
trans-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 86312306
Tert-butyl cis-4-amino-3-hydroxy-piperidine-1-carboxylate
CID 86657841

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-ethoxy-4-(ethylamino)piperidine-1-carboxylic acid?
The IUPAC name of (3S,4R)-3-ethoxy-4-(ethylamino)piperidine-1-carboxylic acid (CID 66707578) is (3S,4R)-3-ethoxy-4-(ethylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4R)-3-ethoxy-4-(ethylamino)piperidine-1-carboxylic acid?
The canonical SMILES for (3S,4R)-3-ethoxy-4-(ethylamino)piperidine-1-carboxylic acid is CCN[C@@H]1CCN(C(=O)O)C[C@@H]1OCC.
What is the InChIKey of (3S,4R)-3-ethoxy-4-(ethylamino)piperidine-1-carboxylic acid?
The InChIKey is PQSIFXLCEDYUOR-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-11-8-5-6-12(10(13)14)7-9(8)15-4-2/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of (3S,4R)-3-ethoxy-4-(ethylamino)piperidine-1-carboxylic acid?
(3S,4R)-3-ethoxy-4-(ethylamino)piperidine-1-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-ethoxy-4-(ethylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 66707578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).