2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid

C11H19N3O5 — CID 83204570

IUPAC2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid
SMILESNC(=O)OCCNC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C11H19N3O5/c12-10(17)19-6-4-13-11(18)14-5-2-1-3-8(14)7-9(15)16/h8H,1-7H2,(H2,12,17)(H,13,18)(H,15,16)
InChIKeyKKWPZYOZPSHQNS-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.12
Rot. Bonds5

About 2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid

2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid (PubChem CID 83204570) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid
PubChem CID83204570
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid
SMILESNC(=O)OCCNC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C11H19N3O5/c12-10(17)19-6-4-13-11(18)14-5-2-1-3-8(14)7-9(15)16/h8H,1-7H2,(H2,12,17)(H,13,18)(H,15,16)
InChIKeyKKWPZYOZPSHQNS-UHFFFAOYSA-N
XLogP0.12
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidin-2-yl]acetic acid
CID 63833186
2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61203013
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
CID 106005378
(2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83204921
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate
CID 18789468
2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
CID 114101416
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 83114337
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
2-[1-(2-methylprop-2-enylcarbamoyl)piperidin-2-yl]acetic acid
CID 114618094

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid (CID 83204570) is 2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid is NC(=O)OCCNC(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid?
The InChIKey is KKWPZYOZPSHQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c12-10(17)19-6-4-13-11(18)14-5-2-1-3-8(14)7-9(15)16/h8H,1-7H2,(H2,12,17)(H,13,18)(H,15,16).
What are the key properties of 2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid?
2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 83204570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).