2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid

C10H19NO3 — CID 106204271

IUPAC2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid
SMILESCC(N)(CCOCCC1CC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-10(11,9(12)13)5-7-14-6-4-8-2-3-8/h8H,2-7,11H2,1H3,(H,12,13)
InChIKeyPPDFKVWENRQIKU-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.00
Rot. Bonds7

About 2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid

2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid (PubChem CID 106204271) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid
PubChem CID106204271
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid
SMILESCC(N)(CCOCCC1CC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-10(11,9(12)13)5-7-14-6-4-8-2-3-8/h8H,2-7,11H2,1H3,(H,12,13)
InChIKeyPPDFKVWENRQIKU-UHFFFAOYSA-N
XLogP1.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid
CID 106204685
2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448821
2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid
CID 106204435
4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)butanamide
CID 106204321
2-amino-4-methoxy-2-methylbutanoic acid
CID 18323200
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 106204533
2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82792259
6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid
CID 106204275
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 106204568
methyl 2-amino-4-(2-cyclopropylethoxy)butanoate
CID 106204239
2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid
CID 106939866
2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid
CID 62206652

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid?
The IUPAC name of 2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid (CID 106204271) is 2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid.
What is the SMILES notation for 2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid?
The canonical SMILES for 2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid is CC(N)(CCOCCC1CC1)C(=O)O.
What is the InChIKey of 2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid?
The InChIKey is PPDFKVWENRQIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(11,9(12)13)5-7-14-6-4-8-2-3-8/h8H,2-7,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid?
2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid is sourced from PubChem (CID 106204271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).