3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid

C14H25N3O4 — CID 81049391

IUPAC3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid
SMILESCCNC(=O)NC(=O)CN1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-3-15-14(21)16-12(18)9-17-6-4-5-11(8-17)10(2)7-13(19)20/h10-11H,3-9H2,1-2H3,(H,19,20)(H2,15,16,18,21)
InChIKeyCJFUUCAMZAIEFE-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.65
Rot. Bonds6

About 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid

3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid (PubChem CID 81049391) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid
PubChem CID81049391
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid
SMILESCCNC(=O)NC(=O)CN1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-3-15-14(21)16-12(18)9-17-6-4-5-11(8-17)10(2)7-13(19)20/h10-11H,3-9H2,1-2H3,(H,19,20)(H2,15,16,18,21)
InChIKeyCJFUUCAMZAIEFE-UHFFFAOYSA-N
XLogP0.65
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride
CID 119925446
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444451
3-(1-nonylpiperidin-3-yl)butanoic acid
CID 81047349
2-(3-methylpiperidin-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 51170637
3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid
CID 81047036
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)acetamide
CID 124744214
2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-3-yl]acetic acid
CID 62689759
2-[(3R)-3-methylpiperidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8903288
3-[1-(2-propylsulfonylethyl)piperidin-3-yl]butanoic acid
CID 106727653
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119925640
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 112628199
N-(ethylcarbamoyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898104

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid (CID 81049391) is 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid is CCNC(=O)NC(=O)CN1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid?
The InChIKey is CJFUUCAMZAIEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-15-14(21)16-12(18)9-17-6-4-5-11(8-17)10(2)7-13(19)20/h10-11H,3-9H2,1-2H3,(H,19,20)(H2,15,16,18,21).
What are the key properties of 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid?
3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81049391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).