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

C12H24N2O3 — CID 83990640

IUPAC3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid
SMILESCCNC1CC(C(C)O)CN(CCC(=O)O)C1
InChIInChI=1S/C12H24N2O3/c1-3-13-11-6-10(9(2)15)7-14(8-11)5-4-12(16)17/h9-11,13,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyVIPZFMRWPJURND-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.14
Rot. Bonds6

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

3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid (PubChem CID 83990640) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid
PubChem CID83990640
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid
SMILESCCNC1CC(C(C)O)CN(CCC(=O)O)C1
InChIInChI=1S/C12H24N2O3/c1-3-13-11-6-10(9(2)15)7-14(8-11)5-4-12(16)17/h9-11,13,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyVIPZFMRWPJURND-UHFFFAOYSA-N
XLogP0.14
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(ethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
CID 83990738
1-[5-(ethylamino)-1-methylpiperidin-3-yl]ethanol
CID 83990165
3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid
CID 83996752
2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996085
1-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]ethanol
CID 83994912
N-[1-ethyl-5-(1-hydroxyethyl)piperidin-3-yl]acetamide
CID 112541682
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990763
3-[3-methyl-5-(3-methylbutylamino)piperidin-1-yl]propanoic acid
CID 83996058
3-[3-(3-methylbutylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83996060
N-[2-[3-acetamido-5-(1-hydroxyethyl)piperidin-1-yl]ethyl]acetamide
CID 112542079
1-[1-ethyl-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990205
1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990009

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid (CID 83990640) is 3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid is CCNC1CC(C(C)O)CN(CCC(=O)O)C1.
What is the InChIKey of 3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid?
The InChIKey is VIPZFMRWPJURND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-13-11-6-10(9(2)15)7-14(8-11)5-4-12(16)17/h9-11,13,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid?
3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 83990640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).