1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid

C9H15NO4 — CID 130649320

IUPAC1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
SMILESC[C@@H](O)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-6(11)8(12)10-4-2-3-7(5-10)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)/t6-,7?/m1/s1
InChIKeyQIVHLCWTBRJAEJ-ULUSZKPHSA-N
MW201.22 g/mol
LogP-0.31
Rot. Bonds2

About 1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid

1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid (PubChem CID 130649320) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
PubChem CID130649320
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
SMILESC[C@@H](O)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-6(11)8(12)10-4-2-3-7(5-10)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)/t6-,7?/m1/s1
InChIKeyQIVHLCWTBRJAEJ-ULUSZKPHSA-N
XLogP-0.31
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
CID 120512637
1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 43355771
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
(3R)-1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118974
1-[2-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 119167781
(3S)-1-(3-cyclohexyl-2-methylpropanoyl)piperidine-3-carboxylic acid
CID 119173789
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid
CID 61157543
1-(2,4-dimethylpent-4-enoyl)piperidine-3-carboxylic acid
CID 120684312

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid (CID 130649320) is 1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid is C[C@@H](O)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid?
The InChIKey is QIVHLCWTBRJAEJ-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(11)8(12)10-4-2-3-7(5-10)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)/t6-,7?/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid?
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 130649320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).