4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid

C9H17NO4 — CID 68759598

IUPAC4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CC(O)CO)CC1
InChIInChI=1S/C9H17NO4/c11-6-8(12)5-7-1-3-10(4-2-7)9(13)14/h7-8,11-12H,1-6H2,(H,13,14)
InChIKeyGAOQASAFNYPQKU-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.12
Rot. Bonds3

About 4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid

4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid (PubChem CID 68759598) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid
PubChem CID68759598
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CC(O)CO)CC1
InChIInChI=1S/C9H17NO4/c11-6-8(12)5-7-1-3-10(4-2-7)9(13)14/h7-8,11-12H,1-6H2,(H,13,14)
InChIKeyGAOQASAFNYPQKU-UHFFFAOYSA-N
XLogP0.12
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2,3-dihydroxypropyl]piperidine-1-carboxylic acid
CID 156506776
3-cyclopropylpropane-1,2-diol
CID 13302066
4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373252
4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042
4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid
CID 154017812
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid
CID 87209791
4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid
CID 129053752
4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid
CID 66935458
3-(2-acetyl-3-oxobutyl)pyrrolidine-1-carboxylic acid
CID 172776765
4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid
CID 66803087
4-(cyanomethyl)azepane-1-carboxylic acid
CID 67156015

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid (CID 68759598) is 4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(CC(O)CO)CC1.
What is the InChIKey of 4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid?
The InChIKey is GAOQASAFNYPQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c11-6-8(12)5-7-1-3-10(4-2-7)9(13)14/h7-8,11-12H,1-6H2,(H,13,14).
What are the key properties of 4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid?
4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68759598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).