4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid

C11H21NO4 — CID 104759780

IUPAC4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid
SMILESCOC1(CNC(C)CCC(=O)O)CCOC1
InChIInChI=1S/C11H21NO4/c1-9(3-4-10(13)14)12-7-11(15-2)5-6-16-8-11/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyMDCDCEILSLWSAL-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.63
Rot. Bonds7

About 4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid

4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid (PubChem CID 104759780) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid
PubChem CID104759780
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid
SMILESCOC1(CNC(C)CCC(=O)O)CCOC1
InChIInChI=1S/C11H21NO4/c1-9(3-4-10(13)14)12-7-11(15-2)5-6-16-8-11/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyMDCDCEILSLWSAL-UHFFFAOYSA-N
XLogP0.63
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 104704803
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]pentanedioic acid
CID 104764209
5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
CID 104759098
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759779
3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705834
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate
CID 104704764
1-(azepan-1-yl)-2-[(3-methoxyoxolan-3-yl)methylamino]propan-1-one
CID 104704791
N-[(3-methoxyoxolan-3-yl)methyl]-2-(methylamino)propanamide
CID 104761397
(3-methoxyoxolan-3-yl)methylurea
CID 104704481

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid?
The IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid (CID 104759780) is 4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid.
What is the SMILES notation for 4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid?
The canonical SMILES for 4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid is COC1(CNC(C)CCC(=O)O)CCOC1.
What is the InChIKey of 4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid?
The InChIKey is MDCDCEILSLWSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-9(3-4-10(13)14)12-7-11(15-2)5-6-16-8-11/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid?
4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid is sourced from PubChem (CID 104759780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).