2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate

C11H19N3O3 — CID 61278463

IUPAC2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESCC(C)OCCOC(=O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C11H19N3O3/c1-8(2)16-3-4-17-11(15)10(12)5-9-6-13-7-14-9/h6-8,10H,3-5,12H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyLOMPGNMTYLNXCJ-JTQLQIEISA-N
MW241.29 g/mol
LogP0.25
Rot. Bonds7

About 2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate

2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate (PubChem CID 61278463) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID61278463
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESCC(C)OCCOC(=O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C11H19N3O3/c1-8(2)16-3-4-17-11(15)10(12)5-9-6-13-7-14-9/h6-8,10H,3-5,12H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyLOMPGNMTYLNXCJ-JTQLQIEISA-N
XLogP0.25
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate 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-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 104563198
2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57194966
butyl 2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride
CID 90675049
pentyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61302323
3,3-dimethylbutyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 66224172
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
CID 25021753
decyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 176896524
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57179687
[(2S)-2-aminopropanoyl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57177492
2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 106202649
2-phenoxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61303057
2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 129095330

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of 2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate (CID 61278463) is 2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for 2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for 2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate is CC(C)OCCOC(=O)[C@@H](N)Cc1cnc[nH]1.
What is the InChIKey of 2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is LOMPGNMTYLNXCJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8(2)16-3-4-17-11(15)10(12)5-9-6-13-7-14-9/h6-8,10H,3-5,12H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of 2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 241.29 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 61278463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).