4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid

C12H22N2O4 — CID 87487604

IUPAC4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid
SMILESCCON(C)C(=O)C(C)C1CCN(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-4-18-13(3)11(15)9(2)10-5-7-14(8-6-10)12(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyFUBQNBSTXWKYRY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.42
Rot. Bonds4

About 4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid

4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid (PubChem CID 87487604) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid
PubChem CID87487604
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid
SMILESCCON(C)C(=O)C(C)C1CCN(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-4-18-13(3)11(15)9(2)10-5-7-14(8-6-10)12(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyFUBQNBSTXWKYRY-UHFFFAOYSA-N
XLogP1.42
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
4-(1-bromoethyl)piperidine-1-carboxylic acid
CID 22936412
4-[methyl(propan-2-yl)amino]piperidine-1-carboxylic acid
CID 22047993
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid
CID 146380644
4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid
CID 129053752
4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid
CID 154223641
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid
CID 154017812
4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
4-(3-ethoxy-3-oxoprop-1-enyl)piperidine-1-carboxylic acid
CID 70246318

Frequently Asked Questions

What is the IUPAC name of 4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid (CID 87487604) is 4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid is CCON(C)C(=O)C(C)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid?
The InChIKey is FUBQNBSTXWKYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-18-13(3)11(15)9(2)10-5-7-14(8-6-10)12(16)17/h9-10H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid?
4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 87487604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).