4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid

C10H20N2O3 — CID 129053752

IUPAC4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid
SMILESCCNCC(O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H20N2O3/c1-2-11-7-9(13)8-3-5-12(6-4-8)10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15)
InChIKeyOVMZPNVWUCHMMQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.35
Rot. Bonds4

About 4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid

4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid (PubChem CID 129053752) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid
PubChem CID129053752
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid
SMILESCCNCC(O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H20N2O3/c1-2-11-7-9(13)8-3-5-12(6-4-8)10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15)
InChIKeyOVMZPNVWUCHMMQ-UHFFFAOYSA-N
XLogP0.35
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 106835868
4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid
CID 154017812
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 63298948
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
4-(1-bromoethyl)piperidine-1-carboxylic acid
CID 22936412
2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid
CID 63296306
4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid
CID 68759598
4-[(2S)-2,3-dihydroxypropyl]piperidine-1-carboxylic acid
CID 156506776
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride
CID 174690434
tert-butyl 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 129073944
3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106836832

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid (CID 129053752) is 4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid is CCNCC(O)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid?
The InChIKey is OVMZPNVWUCHMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-11-7-9(13)8-3-5-12(6-4-8)10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid?
4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 129053752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).