3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid

C9H16N2O4 — CID 104913543

IUPAC3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)C(CO)NC(=O)[C@H]1CCCCN1
InChIInChI=1S/C9H16N2O4/c12-5-7(9(14)15)11-8(13)6-3-1-2-4-10-6/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15)/t6-,7?/m1/s1
InChIKeyPIONCDRBZOOYNW-ULUSZKPHSA-N
MW216.24 g/mol
LogP-1.31
Rot. Bonds4

About 3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid

3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid (PubChem CID 104913543) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
PubChem CID104913543
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)C(CO)NC(=O)[C@H]1CCCCN1
InChIInChI=1S/C9H16N2O4/c12-5-7(9(14)15)11-8(13)6-3-1-2-4-10-6/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15)/t6-,7?/m1/s1
InChIKeyPIONCDRBZOOYNW-ULUSZKPHSA-N
XLogP-1.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913581
(3S)-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 145457422
(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61160577
2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid
CID 103869509
2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanedioic acid
CID 18223690
4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 104901043
(2S)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoic acid
CID 145457511
(2R)-5-amino-5-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoic acid
CID 107830274
(2S)-5-amino-2-(azepane-2-carbonylamino)-5-oxopentanoic acid
CID 64564036
(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanedioic acid
CID 145457571
(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoic acid
CID 145457597

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid (CID 104913543) is 3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid is O=C(O)C(CO)NC(=O)[C@H]1CCCCN1.
What is the InChIKey of 3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid?
The InChIKey is PIONCDRBZOOYNW-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H16N2O4/c12-5-7(9(14)15)11-8(13)6-3-1-2-4-10-6/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15)/t6-,7?/m1/s1.
What are the key properties of 3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid?
3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 104913543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).