2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid

C11H20N2O4 — CID 83213226

IUPAC2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid
SMILESCC(=O)NC(COCC1CCNCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(14)13-10(11(15)16)7-17-6-9-2-4-12-5-3-9/h9-10,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyBRAWGQUEHGYHMU-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.41
Rot. Bonds6

About 2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid

2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid (PubChem CID 83213226) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid
PubChem CID83213226
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid
SMILESCC(=O)NC(COCC1CCNCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(14)13-10(11(15)16)7-17-6-9-2-4-12-5-3-9/h9-10,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyBRAWGQUEHGYHMU-UHFFFAOYSA-N
XLogP-0.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate
CID 65443972
(2S)-3-(cyclopropylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 70225196
(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
CID 169025052
N-methyl-2-(piperidin-4-ylmethoxy)acetamide
CID 39062927
2-acetamido-3-(4-methylpentoxy)propanoic acid
CID 65443172
N-butan-2-yl-2-(piperidin-4-ylmethoxy)acetamide
CID 62340080
2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid
CID 64582704
4-(2,2-difluoroethoxymethyl)piperidine
CID 62340537
(2R)-2-acetamido-3-but-3-enoxypropanoic acid
CID 46900123
2-methylpropyl piperidin-4-ylmethyl carbonate
CID 79338526
acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate
CID 131719663
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid?
The IUPAC name of 2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid (CID 83213226) is 2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid?
The canonical SMILES for 2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid is CC(=O)NC(COCC1CCNCC1)C(=O)O.
What is the InChIKey of 2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid?
The InChIKey is BRAWGQUEHGYHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(14)13-10(11(15)16)7-17-6-9-2-4-12-5-3-9/h9-10,12H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid?
2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid is sourced from PubChem (CID 83213226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).