2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid

C13H23NO4 — CID 83043141

IUPAC2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C13H23NO4/c1-3-6-11(12(15)16)14-8-5-7-10(9-14)13(17)18-4-2/h10-11H,3-9H2,1-2H3,(H,15,16)/t10-,11?/m1/s1
InChIKeyFCQMQHPUQFBLOP-NFJWQWPMSA-N
MW257.33 g/mol
LogP1.51
Rot. Bonds6

About 2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid

2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid (PubChem CID 83043141) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid
PubChem CID83043141
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C13H23NO4/c1-3-6-11(12(15)16)14-8-5-7-10(9-14)13(17)18-4-2/h10-11H,3-9H2,1-2H3,(H,15,16)/t10-,11?/m1/s1
InChIKeyFCQMQHPUQFBLOP-NFJWQWPMSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(1-ethoxy-1-oxobutan-2-yl)piperidine-3-carboxylate
CID 64663416
ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate
CID 63383254
ethyl 1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 62028790
ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 115538013
2-(azepan-1-yl)pentanoic acid
CID 43866463
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3S)-1-[1-(dimethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338312
ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81360759
ethyl (3R)-1-(4-methoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 113331162
ethyl (3S)-1-hydroxypiperidine-3-carboxylate
CID 142359331
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
3-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-methylpropanoic acid
CID 106484520

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid?
The IUPAC name of 2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid (CID 83043141) is 2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid.
What is the SMILES notation for 2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid?
The canonical SMILES for 2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid is CCCC(C(=O)O)N1CCC[C@@H](C(=O)OCC)C1.
What is the InChIKey of 2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid?
The InChIKey is FCQMQHPUQFBLOP-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H23NO4/c1-3-6-11(12(15)16)14-8-5-7-10(9-14)13(17)18-4-2/h10-11H,3-9H2,1-2H3,(H,15,16)/t10-,11?/m1/s1.
What are the key properties of 2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid?
2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid is sourced from PubChem (CID 83043141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).