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

C10H17NO4 — CID 52903753

IUPAC2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
SMILESCCOC(=O)[C@H]1CCCN(CC(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-2-15-10(14)8-4-3-5-11(6-8)7-9(12)13/h8H,2-7H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyGLICYPKHJMOVJU-QMMMGPOBSA-N
MW215.25 g/mol
LogP0.35
Rot. Bonds4

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

2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid (PubChem CID 52903753) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
PubChem CID52903753
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
SMILESCCOC(=O)[C@H]1CCCN(CC(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-2-15-10(14)8-4-3-5-11(6-8)7-9(12)13/h8H,2-7H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyGLICYPKHJMOVJU-QMMMGPOBSA-N
XLogP0.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(E)-2-methylbut-2-enyl]piperidine-3-carboxylate
CID 44827929
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366
ethyl (3R)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339277
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
3-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-methylpropanoic acid
CID 106484520
ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 78787403
ethyl (3R)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 81338286
ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
CID 81338447
ethyl (3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylate
CID 28869444
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid (CID 52903753) is 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid is CCOC(=O)[C@H]1CCCN(CC(=O)O)C1.
What is the InChIKey of 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid?
The InChIKey is GLICYPKHJMOVJU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-15-10(14)8-4-3-5-11(6-8)7-9(12)13/h8H,2-7H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid?
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid has a molecular weight of 215.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid is sourced from PubChem (CID 52903753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).