(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid

C12H21NO4 — CID 66263294

IUPAC(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
SMILESCCCOCCC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C12H21NO4/c1-2-8-17-9-6-11(14)13-7-4-3-5-10(13)12(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyUTLINBJIJOKUME-JTQLQIEISA-N
MW243.30 g/mol
LogP1.27
Rot. Bonds6

About (2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid

(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid (PubChem CID 66263294) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
PubChem CID66263294
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
SMILESCCCOCCC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C12H21NO4/c1-2-8-17-9-6-11(14)13-7-4-3-5-10(13)12(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyUTLINBJIJOKUME-JTQLQIEISA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
1-decanoylazepane-2-carboxylic acid
CID 64558604
4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
CID 114427347
1-(3-propoxypropylcarbamoyl)azepane-2-carboxylic acid
CID 82943948
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
1-(2-propoxyethyl)azepane-2-carboxylic acid
CID 106454718
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
(2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid
CID 129467409
(2S)-1-[3-[[(2S)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid
CID 129467574
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
(2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
CID 28778059

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid (CID 66263294) is (2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid is CCCOCCC(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid?
The InChIKey is UTLINBJIJOKUME-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-8-17-9-6-11(14)13-7-4-3-5-10(13)12(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid?
(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66263294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).