2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid

C11H20N2O4 — CID 55032022

IUPAC2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NC1CCOCC1
InChIInChI=1S/C11H20N2O4/c1-2-5-13(8-10(14)15)11(16)12-9-3-6-17-7-4-9/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyYIBLTWNIAXFBGX-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds5

About 2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid

2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid (PubChem CID 55032022) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid
PubChem CID55032022
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NC1CCOCC1
InChIInChI=1S/C11H20N2O4/c1-2-5-13(8-10(14)15)11(16)12-9-3-6-17-7-4-9/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyYIBLTWNIAXFBGX-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid
CID 64741185
3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655134
2-[(3-methylsulfanylcyclopentyl)carbamoyl-propylamino]acetic acid
CID 114124070
2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide
CID 115590449
2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid
CID 61203323
2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid
CID 61202948
2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid
CID 62366625
3-[oxan-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61202946
2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269687
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
2-[2-methoxyethyl(oxan-3-ylcarbamoyl)amino]acetic acid
CID 79270376
2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271342

Frequently Asked Questions

What is the IUPAC name of 2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid (CID 55032022) is 2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)NC1CCOCC1.
What is the InChIKey of 2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid?
The InChIKey is YIBLTWNIAXFBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-5-13(8-10(14)15)11(16)12-9-3-6-17-7-4-9/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid?
2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid has a molecular weight of 244.29 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-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid is sourced from PubChem (CID 55032022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).