3-amino-3-(methoxymethyl)pentanoic acid

C7H15NO3 — CID 64665153

IUPAC3-amino-3-(methoxymethyl)pentanoic acid
SMILESCCC(N)(COC)CC(=O)O
InChIInChI=1S/C7H15NO3/c1-3-7(8,5-11-2)4-6(9)10/h3-5,8H2,1-2H3,(H,9,10)
InChIKeyHOMXDEBOEVBIAS-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.22
Rot. Bonds5

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

3-amino-3-(methoxymethyl)pentanoic acid (PubChem CID 64665153) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-amino-3-(methoxymethyl)pentanoic acid.

Molecular Properties

Compound Name3-amino-3-(methoxymethyl)pentanoic acid
PubChem CID64665153
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-amino-3-(methoxymethyl)pentanoic acid
SMILESCCC(N)(COC)CC(=O)O
InChIInChI=1S/C7H15NO3/c1-3-7(8,5-11-2)4-6(9)10/h3-5,8H2,1-2H3,(H,9,10)
InChIKeyHOMXDEBOEVBIAS-UHFFFAOYSA-N
XLogP0.22
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methoxy-3-methylbutanoic acid
CID 64666411
3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride
CID 141270736
3-amino-3-propylhexanoic acid
CID 64665150
carbonic acid;3-ethylpentan-3-amine;methanol
CID 174474253
3,5-diamino-3,5-bis(carboxymethyl)heptanedioic acid
CID 11162546
3-(methoxymethyl)-3-(propylamino)pentanoic acid
CID 65233525
trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid
CID 173461711
2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid
CID 87220292
3-methoxy-3-methylpentanoic acid
CID 105428921
3-ethoxycarbonyl-3-methoxypentanoic acid
CID 118610918
2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid
CID 174849026
2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-(methoxymethyl)butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]-2-(methoxymethyl)butanoic acid
CID 162457918

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(methoxymethyl)pentanoic acid?
The IUPAC name of 3-amino-3-(methoxymethyl)pentanoic acid (CID 64665153) is 3-amino-3-(methoxymethyl)pentanoic acid.
What is the SMILES notation for 3-amino-3-(methoxymethyl)pentanoic acid?
The canonical SMILES for 3-amino-3-(methoxymethyl)pentanoic acid is CCC(N)(COC)CC(=O)O.
What is the InChIKey of 3-amino-3-(methoxymethyl)pentanoic acid?
The InChIKey is HOMXDEBOEVBIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-7(8,5-11-2)4-6(9)10/h3-5,8H2,1-2H3,(H,9,10).
What are the key properties of 3-amino-3-(methoxymethyl)pentanoic acid?
3-amino-3-(methoxymethyl)pentanoic acid has a molecular weight of 161.20 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(methoxymethyl)pentanoic acid is sourced from PubChem (CID 64665153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).