2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid

C11H19N3O3 — CID 83019737

IUPAC2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NN1CCCCC1
InChIInChI=1S/C11H19N3O3/c1-2-6-13(9-10(15)16)11(17)12-14-7-4-3-5-8-14/h2H,1,3-9H2,(H,12,17)(H,15,16)
InChIKeyWFXDWWGYSKKFPM-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.67
Rot. Bonds5

About 2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid

2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid (PubChem CID 83019737) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid
PubChem CID83019737
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NN1CCCCC1
InChIInChI=1S/C11H19N3O3/c1-2-6-13(9-10(15)16)11(17)12-14-7-4-3-5-8-14/h2H,1,3-9H2,(H,12,17)(H,15,16)
InChIKeyWFXDWWGYSKKFPM-UHFFFAOYSA-N
XLogP0.67
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid
CID 83019576
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)-prop-2-enylamino]acetic acid
CID 79277475
2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61193412
2-[(1-methylpiperidin-3-yl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 79277227
2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79275995
2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79276507
2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 107164806
2-[(4-hydroxycyclohexyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276890
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl-prop-2-enylamino]acetic acid
CID 113407994
2-[pentan-3-ylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79276869
2-[2,2-difluoroethylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 115408164
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid (CID 83019737) is 2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)NN1CCCCC1.
What is the InChIKey of 2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid?
The InChIKey is WFXDWWGYSKKFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-6-13(9-10(15)16)11(17)12-14-7-4-3-5-8-14/h2H,1,3-9H2,(H,12,17)(H,15,16).
What are the key properties of 2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid?
2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid has a molecular weight of 241.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 83019737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).