(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid

C14H24N2O5 — CID 81119933

IUPAC(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCCN(CC(=O)OCC)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-3-7-15(10-12(17)21-4-2)14(20)16-8-5-6-11(9-16)13(18)19/h11H,3-10H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyKXBLUTJBGFAYBG-LLVKDONJSA-N
MW300.36 g/mol
LogP1.18
Rot. Bonds6

About (3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81119933) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID81119933
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCCN(CC(=O)OCC)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-3-7-15(10-12(17)21-4-2)14(20)16-8-5-6-11(9-16)13(18)19/h11H,3-10H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyKXBLUTJBGFAYBG-LLVKDONJSA-N
XLogP1.18
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126397
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
(3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81118602
1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 43270721
(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103103373
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863
ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate
CID 79162765
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61188372
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
(3R)-1-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120005

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid (CID 81119933) is (3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid is CCCN(CC(=O)OCC)C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is KXBLUTJBGFAYBG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-3-7-15(10-12(17)21-4-2)14(20)16-8-5-6-11(9-16)13(18)19/h11H,3-10H2,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81119933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).