(3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid

C11H23NO3 — CID 125451960

IUPAC(3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid
SMILESCC(C)CCOC[C@H](CCN)CC(=O)O
InChIInChI=1S/C11H23NO3/c1-9(2)4-6-15-8-10(3-5-12)7-11(13)14/h9-10H,3-8,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyHTDGXERISHQRBQ-SNVBAGLBSA-N
MW217.31 g/mol
LogP1.49
Rot. Bonds9

About (3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid

(3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid (PubChem CID 125451960) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid.

Molecular Properties

Compound Name(3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid
PubChem CID125451960
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name(3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid
SMILESCC(C)CCOC[C@H](CCN)CC(=O)O
InChIInChI=1S/C11H23NO3/c1-9(2)4-6-15-8-10(3-5-12)7-11(13)14/h9-10H,3-8,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyHTDGXERISHQRBQ-SNVBAGLBSA-N
XLogP1.49
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid?
The IUPAC name of (3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid (CID 125451960) is (3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid.
What is the SMILES notation for (3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid?
The canonical SMILES for (3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid is CC(C)CCOC[C@H](CCN)CC(=O)O.
What is the InChIKey of (3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid?
The InChIKey is HTDGXERISHQRBQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(2)4-6-15-8-10(3-5-12)7-11(13)14/h9-10H,3-8,12H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid?
(3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid is sourced from PubChem (CID 125451960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).