2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid

C12H19NO6 — CID 60662012

IUPAC2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
SMILESCCOC(=O)C1CCCN(C(=O)COCC(=O)O)C1
InChIInChI=1S/C12H19NO6/c1-2-19-12(17)9-4-3-5-13(6-9)10(14)7-18-8-11(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyPWCXGHVCQCXKMG-UHFFFAOYSA-N
MW273.28 g/mol
LogP-0.11
Rot. Bonds6

About 2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid

2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid (PubChem CID 60662012) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
PubChem CID60662012
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
SMILESCCOC(=O)C1CCCN(C(=O)COCC(=O)O)C1
InChIInChI=1S/C12H19NO6/c1-2-19-12(17)9-4-3-5-13(6-9)10(14)7-18-8-11(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyPWCXGHVCQCXKMG-UHFFFAOYSA-N
XLogP-0.11
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
CID 110678236
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79463699
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
CID 61340322
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl (3R)-1-but-3-enoylpiperidine-3-carboxylate
CID 115538775
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid (CID 60662012) is 2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid is CCOC(=O)C1CCCN(C(=O)COCC(=O)O)C1.
What is the InChIKey of 2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid?
The InChIKey is PWCXGHVCQCXKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6/c1-2-19-12(17)9-4-3-5-13(6-9)10(14)7-18-8-11(15)16/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid?
2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid has a molecular weight of 273.28 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 60662012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).