(2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid

C11H20N2O4 — CID 107835993

IUPAC(2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
SMILESO=C(CCC1CCCNC1)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H20N2O4/c14-9(11(16)17)7-13-10(15)4-3-8-2-1-5-12-6-8/h8-9,12,14H,1-7H2,(H,13,15)(H,16,17)/t8?,9-/m0/s1
InChIKeyPXOVXACOCBLMGS-GKAPJAKFSA-N
MW244.29 g/mol
LogP-0.67
Rot. Bonds6

About (2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid

(2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid (PubChem CID 107835993) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
PubChem CID107835993
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
SMILESO=C(CCC1CCCNC1)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H20N2O4/c14-9(11(16)17)7-13-10(15)4-3-8-2-1-5-12-6-8/h8-9,12,14H,1-7H2,(H,13,15)(H,16,17)/t8?,9-/m0/s1
InChIKeyPXOVXACOCBLMGS-GKAPJAKFSA-N
XLogP-0.67
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
CID 66164999
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
2-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81134818
3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 66166053
(2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 107833229
N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 103859922
2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 66177244
3-cyclopentyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]propanamide
CID 119555898
4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid
CID 65286080
3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 81078722
N-(2-hydroxypropyl)-2-piperidin-3-ylacetamide
CID 62674871
N-(2,3-dihydroxypropyl)-2-piperidin-3-ylacetamide
CID 66170381

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid (CID 107835993) is (2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid is O=C(CCC1CCCNC1)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid?
The InChIKey is PXOVXACOCBLMGS-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20N2O4/c14-9(11(16)17)7-13-10(15)4-3-8-2-1-5-12-6-8/h8-9,12,14H,1-7H2,(H,13,15)(H,16,17)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid?
(2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.67, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 107835993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).