2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid

C9H16N2O5 — CID 104764175

IUPAC2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
SMILESCOC1(CNC(=O)NCC(=O)O)CCOC1
InChIInChI=1S/C9H16N2O5/c1-15-9(2-3-16-6-9)5-11-8(14)10-4-7(12)13/h2-6H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeySQSADYUPSHLQBI-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.82
Rot. Bonds5

About 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid

2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid (PubChem CID 104764175) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
PubChem CID104764175
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
SMILESCOC1(CNC(=O)NCC(=O)O)CCOC1
InChIInChI=1S/C9H16N2O5/c1-15-9(2-3-16-6-9)5-11-8(14)10-4-7(12)13/h2-6H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeySQSADYUPSHLQBI-UHFFFAOYSA-N
XLogP-0.82
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-Trifluoro-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 104764174
2-[(3-Methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104764309
Ethyl 2-(oxolan-3-ylmethylcarbamoylamino)acetate
CID 60970355
2-(Oxolan-3-ylmethylcarbamoylamino)acetic acid
CID 61552369
2-[Ethyl(oxolan-3-ylmethylcarbamoyl)amino]acetic acid
CID 62824378
2-[Methyl(oxolan-3-ylmethylcarbamoyl)amino]acetic acid
CID 62824379
2-[Oxolan-3-ylmethylcarbamoyl(propyl)amino]acetic acid
CID 62824551
2-[2-Methylpropyl(oxolan-3-ylmethylcarbamoyl)amino]acetic acid
CID 63065459
2-[2-Methoxyethyl(oxolan-3-ylmethylcarbamoyl)amino]acetic acid
CID 79271733
2-[1-[(3-Methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659123
3-Methoxy-4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]butanoic acid
CID 103159933
Ethyl 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]acetate
CID 103357464

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid (CID 104764175) is 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid is COC1(CNC(=O)NCC(=O)O)CCOC1.
What is the InChIKey of 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid?
The InChIKey is SQSADYUPSHLQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-15-9(2-3-16-6-9)5-11-8(14)10-4-7(12)13/h2-6H2,1H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid?
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid has a molecular weight of 232.24 g/mol, XLogP of -0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 104764175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).