3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid

C13H24N2O5 — CID 112544123

IUPAC3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
SMILESCCOC(=O)NC1CC(CCO)CN(CCC(=O)O)C1
InChIInChI=1S/C13H24N2O5/c1-2-20-13(19)14-11-7-10(4-6-16)8-15(9-11)5-3-12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyJPKJLHRYTNCFTA-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.28
Rot. Bonds7

About 3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid

3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid (PubChem CID 112544123) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
PubChem CID112544123
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
SMILESCCOC(=O)NC1CC(CCO)CN(CCC(=O)O)C1
InChIInChI=1S/C13H24N2O5/c1-2-20-13(19)14-11-7-10(4-6-16)8-15(9-11)5-3-12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyJPKJLHRYTNCFTA-UHFFFAOYSA-N
XLogP0.28
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
CID 112543627
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
3-[5-(ethoxycarbonylamino)-1-(2-methylpropyl)piperidin-3-yl]propanoic acid
CID 112543723
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
CID 112543702
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
CID 112543786
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097
ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
CID 112543729
3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoic acid
CID 112544755
3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83990005

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid (CID 112544123) is 3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid is CCOC(=O)NC1CC(CCO)CN(CCC(=O)O)C1.
What is the InChIKey of 3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid?
The InChIKey is JPKJLHRYTNCFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-2-20-13(19)14-11-7-10(4-6-16)8-15(9-11)5-3-12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid?
3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 112544123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).