1-acetyl-5-aminopiperidine-3-carboxylic acid

C8H14N2O3 — CID 83989133

IUPAC1-acetyl-5-aminopiperidine-3-carboxylic acid
SMILESCC(=O)N1CC(N)CC(C(=O)O)C1
InChIInChI=1S/C8H14N2O3/c1-5(11)10-3-6(8(12)13)2-7(9)4-10/h6-7H,2-4,9H2,1H3,(H,12,13)
InChIKeyURVNAXVXXKWZDU-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.73
Rot. Bonds1

About 1-acetyl-5-aminopiperidine-3-carboxylic acid

1-acetyl-5-aminopiperidine-3-carboxylic acid (PubChem CID 83989133) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-acetyl-5-aminopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-5-aminopiperidine-3-carboxylic acid
PubChem CID83989133
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-acetyl-5-aminopiperidine-3-carboxylic acid
SMILESCC(=O)N1CC(N)CC(C(=O)O)C1
InChIInChI=1S/C8H14N2O3/c1-5(11)10-3-6(8(12)13)2-7(9)4-10/h6-7H,2-4,9H2,1H3,(H,12,13)
InChIKeyURVNAXVXXKWZDU-UHFFFAOYSA-N
XLogP-0.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83989066
1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone
CID 90512375
1-(1-acetylazetidin-3-yl)ethanone;ethane
CID 144882455
1-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 83989143
1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
CID 82594406
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
1-[3-(fluoromethyl)azetidin-1-yl]ethanone
CID 121188787
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
1-[3-amino-4-(bromomethyl)pyrrolidin-1-yl]ethanone
CID 130952262
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-aminopiperidine-3-carboxylic acid?
The IUPAC name of 1-acetyl-5-aminopiperidine-3-carboxylic acid (CID 83989133) is 1-acetyl-5-aminopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-acetyl-5-aminopiperidine-3-carboxylic acid?
The canonical SMILES for 1-acetyl-5-aminopiperidine-3-carboxylic acid is CC(=O)N1CC(N)CC(C(=O)O)C1.
What is the InChIKey of 1-acetyl-5-aminopiperidine-3-carboxylic acid?
The InChIKey is URVNAXVXXKWZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(11)10-3-6(8(12)13)2-7(9)4-10/h6-7H,2-4,9H2,1H3,(H,12,13).
What are the key properties of 1-acetyl-5-aminopiperidine-3-carboxylic acid?
1-acetyl-5-aminopiperidine-3-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-aminopiperidine-3-carboxylic acid is sourced from PubChem (CID 83989133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).