3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid

C10H18N2O4 — CID 61157563

IUPAC3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid
SMILESO=C(CC1CCNCC1)NC(CO)C(=O)O
InChIInChI=1S/C10H18N2O4/c13-6-8(10(15)16)12-9(14)5-7-1-3-11-4-2-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)
InChIKeyHCSDIRQTZHJXAA-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.06
Rot. Bonds5

About 3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid

3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid (PubChem CID 61157563) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid
PubChem CID61157563
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid
SMILESO=C(CC1CCNCC1)NC(CO)C(=O)O
InChIInChI=1S/C10H18N2O4/c13-6-8(10(15)16)12-9(14)5-7-1-3-11-4-2-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)
InChIKeyHCSDIRQTZHJXAA-UHFFFAOYSA-N
XLogP-1.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
CID 80750139
3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid
CID 55049718
(2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675980
3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675458
(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 61160975
5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 82786150
(2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80750585
2-cyclohexyl-2-[(2-piperidin-4-ylacetyl)amino]acetic acid
CID 61159791
N-(4-hydroxybutan-2-yl)-2-piperidin-4-ylacetamide
CID 83177313
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 21179606
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267
2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 103161841

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid (CID 61157563) is 3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid is O=C(CC1CCNCC1)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid?
The InChIKey is HCSDIRQTZHJXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-6-8(10(15)16)12-9(14)5-7-1-3-11-4-2-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16).
What are the key properties of 3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid?
3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 61157563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).