4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid

C9H18N2O3 — CID 70481123

IUPAC4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid
SMILESCCC1C(OC)C(N)CCN1C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-7-8(14-2)6(10)4-5-11(7)9(12)13/h6-8H,3-5,10H2,1-2H3,(H,12,13)
InChIKeyRRQDLTDDISYQGU-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.49
Rot. Bonds2

About 4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid

4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid (PubChem CID 70481123) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid
PubChem CID70481123
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid
SMILESCCC1C(OC)C(N)CCN1C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-7-8(14-2)6(10)4-5-11(7)9(12)13/h6-8H,3-5,10H2,1-2H3,(H,12,13)
InChIKeyRRQDLTDDISYQGU-UHFFFAOYSA-N
XLogP0.49
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-amino-3-methoxypiperidine-1-carboxylate
CID 53396191
(3S,4R)-tert-Butyl 4-amino-3-hydroxypiperidine-1-carboxylate
CID 67372954
trans-4-Amino-1-boc-3-methoxypiperidine
CID 68054336
Tert-butyl cis-4-amino-3-hydroxy-piperidine-1-carboxylate
CID 86657841
Tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate hydrochloride
CID 137698556
8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octylcarbamic acid
CID 447605
Ethyl cis-(4-amino-3-methoxypiperidino)formate
CID 13677746
Ethyl cis-4-amino-3-hydroxypiperidine-1-carboxylate
CID 21149598
(3R,4S)-4-Amino-1-boc-3-methoxypiperidine
CID 57362389
(3S,4R)-4-amino-3-(3-fluoropropoxy)piperidine-1-carboxylic acid
CID 68413654

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid?
The IUPAC name of 4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid (CID 70481123) is 4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid is CCC1C(OC)C(N)CCN1C(=O)O.
What is the InChIKey of 4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid?
The InChIKey is RRQDLTDDISYQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-7-8(14-2)6(10)4-5-11(7)9(12)13/h6-8H,3-5,10H2,1-2H3,(H,12,13).
What are the key properties of 4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid?
4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-3-methoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 70481123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).