1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid

C8H16N2O3 — CID 106933551

IUPAC1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid
SMILESC[C@@H](O)CN1CCNCC1C(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(11)5-10-3-2-9-4-7(10)8(12)13/h6-7,9,11H,2-5H2,1H3,(H,12,13)/t6-,7?/m1/s1
InChIKeyZTFLMEGOJKXDEI-ULUSZKPHSA-N
MW188.23 g/mol
LogP-1.27
Rot. Bonds3

About 1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid

1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid (PubChem CID 106933551) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid
PubChem CID106933551
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid
SMILESC[C@@H](O)CN1CCNCC1C(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(11)5-10-3-2-9-4-7(10)8(12)13/h6-7,9,11H,2-5H2,1H3,(H,12,13)/t6-,7?/m1/s1
InChIKeyZTFLMEGOJKXDEI-ULUSZKPHSA-N
XLogP-1.27
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide
CID 106933554
1-(3-butoxy-2-hydroxypropyl)piperazine-2-carboxylic acid
CID 107264189
(2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol
CID 98219220
1-methylpiperazine-2-carboxylic acid;hydrochloride
CID 91989357
1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile
CID 106933588
1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid
CID 141112718
1-hept-6-enylpiperazine-2-carboxylic acid
CID 107008029
(2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 86329900
1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid
CID 18712905
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid
CID 80663815
1-[(E)-4-ethoxy-4-oxobut-2-enyl]piperazine-2-carboxylic acid
CID 80549154
1-(2,2-diethoxyethyl)piperazine-2-carboxamide
CID 81093010

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid?
The IUPAC name of 1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid (CID 106933551) is 1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid is C[C@@H](O)CN1CCNCC1C(=O)O.
What is the InChIKey of 1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid?
The InChIKey is ZTFLMEGOJKXDEI-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(11)5-10-3-2-9-4-7(10)8(12)13/h6-7,9,11H,2-5H2,1H3,(H,12,13)/t6-,7?/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid?
1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid has a molecular weight of 188.23 g/mol, XLogP of -1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 106933551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).