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

C10H19N3O3 — CID 67154253

IUPAC2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid
SMILESNC(CNC(=O)CC1CCNCC1)C(=O)O
InChIInChI=1S/C10H19N3O3/c11-8(10(15)16)6-13-9(14)5-7-1-3-12-4-2-7/h7-8,12H,1-6,11H2,(H,13,14)(H,15,16)
InChIKeyTXIOTNRJYJDMGB-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.10
Rot. Bonds5

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

2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid (PubChem CID 67154253) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid
PubChem CID67154253
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid
SMILESNC(CNC(=O)CC1CCNCC1)C(=O)O
InChIInChI=1S/C10H19N3O3/c11-8(10(15)16)6-13-9(14)5-7-1-3-12-4-2-7/h7-8,12H,1-6,11H2,(H,13,14)(H,15,16)
InChIKeyTXIOTNRJYJDMGB-UHFFFAOYSA-N
XLogP-1.10
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid
CID 65224540
2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 77233359
(2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 67154447
(2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid
CID 67328584
N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide
CID 99596160
(2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid
CID 67154306
N-(2-hydroxy-2-phenylethyl)-2-piperidin-4-ylacetamide
CID 54910069
3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 61157563
N-[2-(dimethylamino)-4-methylpentyl]-2-piperidin-4-ylacetamide
CID 61274494
2-piperidin-4-yl-N-prop-2-ynylacetamide
CID 61028682
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid (CID 67154253) is 2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid is NC(CNC(=O)CC1CCNCC1)C(=O)O.
What is the InChIKey of 2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid?
The InChIKey is TXIOTNRJYJDMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c11-8(10(15)16)6-13-9(14)5-7-1-3-12-4-2-7/h7-8,12H,1-6,11H2,(H,13,14)(H,15,16).
What are the key properties of 2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid?
2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of -1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 67154253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).