4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid

C11H20N2O3 — CID 63702401

IUPAC4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCN(C(C)C)CC1
InChIInChI=1S/C11H20N2O3/c1-8(2)13-6-4-11(5-7-13,10(15)16)12-9(3)14/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyFTWGLSCBCJQTBB-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds3

About 4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid

4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid (PubChem CID 63702401) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid
PubChem CID63702401
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCN(C(C)C)CC1
InChIInChI=1S/C11H20N2O3/c1-8(2)13-6-4-11(5-7-13,10(15)16)12-9(3)14/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyFTWGLSCBCJQTBB-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid
CID 43754005
4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65076211
1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid
CID 54892985
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
N-(4-benzyl-1-propan-2-ylpiperidin-4-yl)acetamide
CID 134505417
8-acetamidospiro[4.5]decane-8-carboxylic acid
CID 114818426
4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid
CID 60994611
methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60797308
3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 115014441
4-(benzylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65075754
N-[1-(2-methylpropanoyl)cyclopropyl]acetamide
CID 176582512
methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60999032

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid (CID 63702401) is 4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid is CC(=O)NC1(C(=O)O)CCN(C(C)C)CC1.
What is the InChIKey of 4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid?
The InChIKey is FTWGLSCBCJQTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)13-6-4-11(5-7-13,10(15)16)12-9(3)14/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid?
4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63702401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).