2-[(1-acetylpiperidin-4-yl)amino]acetic acid

C9H16N2O3 — CID 22034312

IUPAC2-[(1-acetylpiperidin-4-yl)amino]acetic acid
SMILESCC(=O)N1CCC(NCC(=O)O)CC1
InChIInChI=1S/C9H16N2O3/c1-7(12)11-4-2-8(3-5-11)10-6-9(13)14/h8,10H,2-6H2,1H3,(H,13,14)
InChIKeyAGWXXJSHTLNZEW-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.33
Rot. Bonds3

About 2-[(1-acetylpiperidin-4-yl)amino]acetic acid

2-[(1-acetylpiperidin-4-yl)amino]acetic acid (PubChem CID 22034312) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(1-acetylpiperidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-acetylpiperidin-4-yl)amino]acetic acid
PubChem CID22034312
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[(1-acetylpiperidin-4-yl)amino]acetic acid
SMILESCC(=O)N1CCC(NCC(=O)O)CC1
InChIInChI=1S/C9H16N2O3/c1-7(12)11-4-2-8(3-5-11)10-6-9(13)14/h8,10H,2-6H2,1H3,(H,13,14)
InChIKeyAGWXXJSHTLNZEW-UHFFFAOYSA-N
XLogP-0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-acetylpiperidin-4-yl)amino]-N-cyclopropylacetamide
CID 43231891
2-[(1-ethylpiperidin-4-yl)amino]acetic acid
CID 43135208
2-(cyclopropylamino)acetic acid
CID 21197388
2-[(1-acetylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
CID 43224142
2-[(1-acetylpiperidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113219515
3-[(1-acetylpiperidin-4-yl)amino]propanamide
CID 43224982
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
acetic acid;2-[(4-aminocyclohexyl)amino]acetic acid;cyclohexane-1,4-diamine
CID 67721530
4-[(1-acetylpiperidin-4-yl)amino]butanamide
CID 60864118
1-[4-(2-methylsulfanylethylamino)piperidin-1-yl]ethanone
CID 60663581
1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone
CID 113293617
1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 114146739

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(1-acetylpiperidin-4-yl)amino]acetic acid (CID 22034312) is 2-[(1-acetylpiperidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(1-acetylpiperidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(1-acetylpiperidin-4-yl)amino]acetic acid is CC(=O)N1CCC(NCC(=O)O)CC1.
What is the InChIKey of 2-[(1-acetylpiperidin-4-yl)amino]acetic acid?
The InChIKey is AGWXXJSHTLNZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(12)11-4-2-8(3-5-11)10-6-9(13)14/h8,10H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-[(1-acetylpiperidin-4-yl)amino]acetic acid?
2-[(1-acetylpiperidin-4-yl)amino]acetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidin-4-yl)amino]acetic acid is sourced from PubChem (CID 22034312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).