(2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid

C13H21N5O5 — CID 134258125

IUPAC(2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid
SMILESC[C@H](N)c1nnc([C@H](CO)NC(=O)N2CCCC[C@H]2C(=O)O)o1
InChIInChI=1S/C13H21N5O5/c1-7(14)10-16-17-11(23-10)8(6-19)15-13(22)18-5-3-2-4-9(18)12(20)21/h7-9,19H,2-6,14H2,1H3,(H,15,22)(H,20,21)/t7-,8-,9-/m0/s1
InChIKeyQCHZOWTZQBQHFJ-CIUDSAMLSA-N
MW327.34 g/mol
LogP-0.23
Rot. Bonds5

About (2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid

(2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid (PubChem CID 134258125) has the molecular formula C13H21N5O5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid
PubChem CID134258125
Molecular FormulaC13H21N5O5
Molecular Weight327.34 g/mol
Exact Mass327.15
IUPAC Name(2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid
SMILESC[C@H](N)c1nnc([C@H](CO)NC(=O)N2CCCC[C@H]2C(=O)O)o1
InChIInChI=1S/C13H21N5O5/c1-7(14)10-16-17-11(23-10)8(6-19)15-13(22)18-5-3-2-4-9(18)12(20)21/h7-9,19H,2-6,14H2,1H3,(H,15,22)(H,20,21)/t7-,8-,9-/m0/s1
InChIKeyQCHZOWTZQBQHFJ-CIUDSAMLSA-N
XLogP-0.23
TPSA154.81 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]azepane-2-carboxylic acid
CID 64564093
1-(1-cyclohexylethylcarbamoyl)azepane-2-carboxylic acid
CID 64563711
1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid
CID 54954740
1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]azepane-2-carboxylic acid
CID 64564676
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]azepane-2-carboxylic acid
CID 103112488
(2S)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-2-carboxylic acid
CID 66263553
1-(2-propan-2-yloxyethylcarbamoyl)azepane-2-carboxylic acid
CID 113450642
1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63925924
(2S)-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61197461
(2S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54960242

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid (CID 134258125) is (2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid is C[C@H](N)c1nnc([C@H](CO)NC(=O)N2CCCC[C@H]2C(=O)O)o1.
What is the InChIKey of (2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is QCHZOWTZQBQHFJ-CIUDSAMLSA-N. The full InChI is InChI=1S/C13H21N5O5/c1-7(14)10-16-17-11(23-10)8(6-19)15-13(22)18-5-3-2-4-9(18)12(20)21/h7-9,19H,2-6,14H2,1H3,(H,15,22)(H,20,21)/t7-,8-,9-/m0/s1.
What are the key properties of (2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid?
(2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of -0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-2-hydroxyethyl]carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 134258125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).