5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid

C11H19NO5 — CID 104759098

IUPAC5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
SMILESCOC1(CNC(=O)CCCC(=O)O)CCOC1
InChIInChI=1S/C11H19NO5/c1-16-11(5-6-17-8-11)7-12-9(13)3-2-4-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyLVHOYDNWIATXGC-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.16
Rot. Bonds7

About 5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid

5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid (PubChem CID 104759098) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
PubChem CID104759098
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
SMILESCOC1(CNC(=O)CCCC(=O)O)CCOC1
InChIInChI=1S/C11H19NO5/c1-16-11(5-6-17-8-11)7-12-9(13)3-2-4-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyLVHOYDNWIATXGC-UHFFFAOYSA-N
XLogP0.16
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104766199
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104761417
6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide
CID 104761461
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104761520
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]pentanedioic acid
CID 104764209
4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid
CID 104759780
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide
CID 104761558

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid (CID 104759098) is 5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid is COC1(CNC(=O)CCCC(=O)O)CCOC1.
What is the InChIKey of 5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid?
The InChIKey is LVHOYDNWIATXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-16-11(5-6-17-8-11)7-12-9(13)3-2-4-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid?
5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 104759098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).