(2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid

C12H22N2O3 — CID 66263250

IUPAC(2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid
SMILESCCNC(C)CC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-13-9(2)8-11(15)14-7-5-4-6-10(14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17)/t9?,10-/m0/s1
InChIKeyAQDZMCGKNGBHOT-AXDSSHIGSA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds5

About (2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid

(2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid (PubChem CID 66263250) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid
PubChem CID66263250
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid
SMILESCCNC(C)CC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-13-9(2)8-11(15)14-7-5-4-6-10(14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17)/t9?,10-/m0/s1
InChIKeyAQDZMCGKNGBHOT-AXDSSHIGSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 119371105
1-(3-aminobutanoyl)piperidine-2-carboxylic acid
CID 61156814
1-(2-cyclopentylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one
CID 62831470
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one
CID 62837080
1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 139391002
3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837991
(2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842673
1-[3-(aminomethyl)pentanoyl]azepane-2-carboxylic acid
CID 81079150
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157681
1-[(3S,4S)-6-(2-carboxypyrrolidin-1-yl)-3,4-dihydroxy-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 70274252

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid (CID 66263250) is (2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid is CCNC(C)CC(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid?
The InChIKey is AQDZMCGKNGBHOT-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-13-9(2)8-11(15)14-7-5-4-6-10(14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17)/t9?,10-/m0/s1.
What are the key properties of (2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid?
(2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66263250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).