3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid

C15H29N3O3 — CID 62827708

IUPAC3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid
SMILESCCN(C(=O)NCC(C)N1CCCCC1)C(C)CC(=O)O
InChIInChI=1S/C15H29N3O3/c1-4-18(12(2)10-14(19)20)15(21)16-11-13(3)17-8-6-5-7-9-17/h12-13H,4-11H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyXKQGSHCLYWCKBF-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.76
Rot. Bonds7

About 3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid

3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid (PubChem CID 62827708) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid
PubChem CID62827708
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid
SMILESCCN(C(=O)NCC(C)N1CCCCC1)C(C)CC(=O)O
InChIInChI=1S/C15H29N3O3/c1-4-18(12(2)10-14(19)20)15(21)16-11-13(3)17-8-6-5-7-9-17/h12-13H,4-11H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyXKQGSHCLYWCKBF-UHFFFAOYSA-N
XLogP1.76
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid
CID 103159150
2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid
CID 104569665
3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid
CID 104592016
1-(2-piperidin-1-ylpropyl)-3-propylurea
CID 115589371
2-pyrrolidin-1-ylpropylurea
CID 112728366
3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid
CID 62826284
2-methyl-3-oxo-3-(2-pyrrolidin-1-ylpropylamino)propanoic acid
CID 114898830
3-[3-(dimethylamino)propylcarbamoyl-ethylamino]butanoic acid
CID 62827325
3-[2-ethoxyethylcarbamoyl(ethyl)amino]butanoic acid
CID 55122563
3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid
CID 106257764
2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 54899691
3-(ethylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 62836646

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid (CID 62827708) is 3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid is CCN(C(=O)NCC(C)N1CCCCC1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid?
The InChIKey is XKQGSHCLYWCKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-4-18(12(2)10-14(19)20)15(21)16-11-13(3)17-8-6-5-7-9-17/h12-13H,4-11H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid?
3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 62827708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).