2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid

C13H23N3O4 — CID 79608129

IUPAC2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid
SMILESCC(C)NC(=O)NC(=O)CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-9(2)14-13(20)15-11(17)8-16-5-3-10(4-6-16)7-12(18)19/h9-10H,3-8H2,1-2H3,(H,18,19)(H2,14,15,17,20)
InChIKeyCYSLGRFWIOLGQS-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.41
Rot. Bonds5

About 2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid

2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid (PubChem CID 79608129) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid
PubChem CID79608129
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid
SMILESCC(C)NC(=O)NC(=O)CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-9(2)14-13(20)15-11(17)8-16-5-3-10(4-6-16)7-12(18)19/h9-10H,3-8H2,1-2H3,(H,18,19)(H2,14,15,17,20)
InChIKeyCYSLGRFWIOLGQS-UHFFFAOYSA-N
XLogP0.41
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-3-yl]acetic acid
CID 62689759
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 80552476
2-(4-methylpiperidin-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 8543273
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 63267514
2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79605754
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 30968389
2-[4-(2-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 121200085
N-(propan-2-ylcarbamoyl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27098406
2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 31691698
2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345
2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608279
2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylacetamide
CID 20770430

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid (CID 79608129) is 2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid is CC(C)NC(=O)NC(=O)CN1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid?
The InChIKey is CYSLGRFWIOLGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(2)14-13(20)15-11(17)8-16-5-3-10(4-6-16)7-12(18)19/h9-10H,3-8H2,1-2H3,(H,18,19)(H2,14,15,17,20).
What are the key properties of 2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid?
2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).