3-(methoxymethyl)-3-(propylamino)pentanoic acid

C10H21NO3 — CID 65233525

IUPAC3-(methoxymethyl)-3-(propylamino)pentanoic acid
SMILESCCCNC(CC)(COC)CC(=O)O
InChIInChI=1S/C10H21NO3/c1-4-6-11-10(5-2,8-14-3)7-9(12)13/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyBRLRBZOBLYYYRU-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.26
Rot. Bonds8

About 3-(methoxymethyl)-3-(propylamino)pentanoic acid

3-(methoxymethyl)-3-(propylamino)pentanoic acid (PubChem CID 65233525) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(methoxymethyl)-3-(propylamino)pentanoic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-3-(propylamino)pentanoic acid
PubChem CID65233525
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-(methoxymethyl)-3-(propylamino)pentanoic acid
SMILESCCCNC(CC)(COC)CC(=O)O
InChIInChI=1S/C10H21NO3/c1-4-6-11-10(5-2,8-14-3)7-9(12)13/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyBRLRBZOBLYYYRU-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-3-(propylamino)pentanamide
CID 65236050
3-methyl-3-(propylamino)butanoic acid
CID 65235823
3-amino-3-(methoxymethyl)pentanoic acid
CID 64665153
3-(butanoylamino)-4-methoxy-3-methylbutanoic acid
CID 115910326
5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol
CID 107317060
3-methyl-3-(propylamino)octanoic acid
CID 80558615
3-amino-4-methoxy-3-methylbutanoic acid
CID 64666411
3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid
CID 120532492
3-ethyl-3-hydroxypentanoic acid
CID 11513768
3-(ethylamino)-4-methoxy-3-phenylbutanoic acid
CID 103466302
N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]acetamide
CID 126717366
trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid
CID 173461711

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-3-(propylamino)pentanoic acid?
The IUPAC name of 3-(methoxymethyl)-3-(propylamino)pentanoic acid (CID 65233525) is 3-(methoxymethyl)-3-(propylamino)pentanoic acid.
What is the SMILES notation for 3-(methoxymethyl)-3-(propylamino)pentanoic acid?
The canonical SMILES for 3-(methoxymethyl)-3-(propylamino)pentanoic acid is CCCNC(CC)(COC)CC(=O)O.
What is the InChIKey of 3-(methoxymethyl)-3-(propylamino)pentanoic acid?
The InChIKey is BRLRBZOBLYYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-6-11-10(5-2,8-14-3)7-9(12)13/h11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 3-(methoxymethyl)-3-(propylamino)pentanoic acid?
3-(methoxymethyl)-3-(propylamino)pentanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-3-(propylamino)pentanoic acid is sourced from PubChem (CID 65233525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).