(2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid

C11H19N3O3 — CID 131905578

IUPAC(2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid
SMILESCOCCn1ccnc1CN(C)[C@@H](C)C(=O)O
InChIInChI=1S/C11H19N3O3/c1-9(11(15)16)13(2)8-10-12-4-5-14(10)6-7-17-3/h4-5,9H,6-8H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyXQQVNXANDGJGHW-VIFPVBQESA-N
MW241.29 g/mol
LogP0.43
Rot. Bonds7

About (2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid

(2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid (PubChem CID 131905578) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid
PubChem CID131905578
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid
SMILESCOCCn1ccnc1CN(C)[C@@H](C)C(=O)O
InChIInChI=1S/C11H19N3O3/c1-9(11(15)16)13(2)8-10-12-4-5-14(10)6-7-17-3/h4-5,9H,6-8H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyXQQVNXANDGJGHW-VIFPVBQESA-N
XLogP0.43
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
2-[1-(2-methoxyethyl)imidazol-2-yl]ethanamine
CID 62410004
4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid
CID 154074662
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46998669
1-[1-(2-methoxyethyl)imidazol-2-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 77078626
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 131948411
tert-butyl 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 66338330
(2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine
CID 94600630
(3R,4R)-4-[ethyl-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]amino]-1,1-dioxothiolan-3-ol
CID 46994800
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
CID 113427307
3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116567317
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-propylimidazole
CID 113427513

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid?
The IUPAC name of (2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid (CID 131905578) is (2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid?
The canonical SMILES for (2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid is COCCn1ccnc1CN(C)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid?
The InChIKey is XQQVNXANDGJGHW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O3/c1-9(11(15)16)13(2)8-10-12-4-5-14(10)6-7-17-3/h4-5,9H,6-8H2,1-3H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid?
(2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid is sourced from PubChem (CID 131905578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).