2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid

C12H21N3O4 — CID 62210241

IUPAC2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CCC1CCNCC1
InChIInChI=1S/C12H21N3O4/c16-10(2-1-9-3-5-13-6-4-9)14-7-11(17)15-8-12(18)19/h9,13H,1-8H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyIKAWADAGQROIMA-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.92
Rot. Bonds7

About 2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid

2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid (PubChem CID 62210241) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid
PubChem CID62210241
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CCC1CCNCC1
InChIInChI=1S/C12H21N3O4/c16-10(2-1-9-3-5-13-6-4-9)14-7-11(17)15-8-12(18)19/h9,13H,1-8H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyIKAWADAGQROIMA-UHFFFAOYSA-N
XLogP-0.92
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide
CID 55049712
N-(2-cyclobutylethyl)-3-piperidin-4-ylpropanamide
CID 115870643
N-(3-aminopropyl)-3-piperidin-4-ylpropanamide
CID 62211796
N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide
CID 106841935
2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 114006841
3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid
CID 65224381
2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride
CID 22611771
5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid
CID 65493929
2-methyl-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 80539959
2-(piperidin-4-ylmethylcarbamoylamino)acetic acid
CID 117234705
3-[[2-[[4-piperidin-4-yl-2-(2-piperidin-4-ylethyl)butanoyl]amino]acetyl]amino]propanoic acid;dihydrochloride
CID 70237108
2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid
CID 63006441

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid (CID 62210241) is 2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)CCC1CCNCC1.
What is the InChIKey of 2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid?
The InChIKey is IKAWADAGQROIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c16-10(2-1-9-3-5-13-6-4-9)14-7-11(17)15-8-12(18)19/h9,13H,1-8H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid?
2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of -0.92, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 62210241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).