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

C10H20N2O3 — CID 54237477

IUPACethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](N)[C@@H](OCC)C1
InChIInChI=1S/C10H20N2O3/c1-3-14-9-7-12(6-5-8(9)11)10(13)15-4-2/h8-9H,3-7,11H2,1-2H3/t8-,9+/m1/s1
InChIKeyQNOZFBCSHIRSJN-BDAKNGLRSA-N
MW216.28 g/mol
LogP0.58
Rot. Bonds3

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

ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate (PubChem CID 54237477) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate
PubChem CID54237477
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](N)[C@@H](OCC)C1
InChIInChI=1S/C10H20N2O3/c1-3-14-9-7-12(6-5-8(9)11)10(13)15-4-2/h8-9H,3-7,11H2,1-2H3/t8-,9+/m1/s1
InChIKeyQNOZFBCSHIRSJN-BDAKNGLRSA-N
XLogP0.58
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 86648467
butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 137371260
tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate
CID 75355534
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554
ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
CID 59145083
tert-butyl (3S,4S)-3-amino-4-ethoxypyrrolidine-1-carboxylate
CID 27281446
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate
CID 58035265
ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
CID 162757671
4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid
CID 66677317
ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate
CID 114506999
benzyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 77271966

Frequently Asked Questions

What is the IUPAC name of ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate?
The IUPAC name of ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate (CID 54237477) is ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate?
The canonical SMILES for ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate is CCOC(=O)N1CC[C@@H](N)[C@@H](OCC)C1.
What is the InChIKey of ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate?
The InChIKey is QNOZFBCSHIRSJN-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-14-9-7-12(6-5-8(9)11)10(13)15-4-2/h8-9H,3-7,11H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate?
ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate is sourced from PubChem (CID 54237477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).