3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid

C13H23N3O4 — CID 62217877

IUPAC3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid
SMILESCCNC(=O)NC(=O)CN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-2-14-13(20)15-11(17)9-16-7-5-10(6-8-16)3-4-12(18)19/h10H,2-9H2,1H3,(H,18,19)(H2,14,15,17,20)
InChIKeyOLEUHCYTLDZKLR-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.41
Rot. Bonds6

About 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid

3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid (PubChem CID 62217877) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid
PubChem CID62217877
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid
SMILESCCNC(=O)NC(=O)CN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-2-14-13(20)15-11(17)9-16-7-5-10(6-8-16)3-4-12(18)19/h10H,2-9H2,1H3,(H,18,19)(H2,14,15,17,20)
InChIKeyOLEUHCYTLDZKLR-UHFFFAOYSA-N
XLogP0.41
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate
CID 51102081
N-(ethylcarbamoyl)-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]acetamide
CID 63102245
ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 27152328
2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide
CID 65249628
3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid
CID 15818985
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)acetamide
CID 124744214
N-(ethylcarbamoyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898104
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 80546664
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 80552650
methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47280826
N-benzyl-1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 26653754
2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid
CID 79608129

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid (CID 62217877) is 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid is CCNC(=O)NC(=O)CN1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid?
The InChIKey is OLEUHCYTLDZKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-2-14-13(20)15-11(17)9-16-7-5-10(6-8-16)3-4-12(18)19/h10H,2-9H2,1H3,(H,18,19)(H2,14,15,17,20).
What are the key properties of 3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid?
3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.41, 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-4-yl]propanoic acid is sourced from PubChem (CID 62217877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).