2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid

C11H18N2O5 — CID 22465574

IUPAC2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid
SMILESCCOC(=O)C1CCCN(C(=O)NCC(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-2-18-10(16)8-4-3-5-13(7-8)11(17)12-6-9(14)15/h8H,2-7H2,1H3,(H,12,17)(H,14,15)
InChIKeyOARPNWGIUPTAAA-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.06
Rot. Bonds4

About 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid

2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 22465574) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID22465574
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid
SMILESCCOC(=O)C1CCCN(C(=O)NCC(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-2-18-10(16)8-4-3-5-13(7-8)11(17)12-6-9(14)15/h8H,2-7H2,1H3,(H,12,17)(H,14,15)
InChIKeyOARPNWGIUPTAAA-UHFFFAOYSA-N
XLogP0.06
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Fluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate
CID 174503211
3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 63832827
1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 63834067
(3R)-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81120149
(3S)-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125966
ethyl (3S)-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate
CID 103778745
ethyl (3R)-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate
CID 103778748
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 105918907
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 105919064
(3S)-1-[2-(2,2-difluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 105919203
Ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate
CID 113224228
(3R)-1-[2-(2,2-difluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 114128630

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid (CID 22465574) is 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid is CCOC(=O)C1CCCN(C(=O)NCC(=O)O)C1.
What is the InChIKey of 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is OARPNWGIUPTAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-2-18-10(16)8-4-3-5-13(7-8)11(17)12-6-9(14)15/h8H,2-7H2,1H3,(H,12,17)(H,14,15).
What are the key properties of 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid?
2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 258.27 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 22465574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).