2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid

C12H21N3O2 — CID 55148594

IUPAC2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCCn1ccnc1CN(CC(=O)O)CC(C)C
InChIInChI=1S/C12H21N3O2/c1-4-15-6-5-13-11(15)8-14(7-10(2)3)9-12(16)17/h5-6,10H,4,7-9H2,1-3H3,(H,16,17)
InChIKeyDNRHATWYRTZTLJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.45
Rot. Bonds7

About 2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid

2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid (PubChem CID 55148594) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid
PubChem CID55148594
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCCn1ccnc1CN(CC(=O)O)CC(C)C
InChIInChI=1S/C12H21N3O2/c1-4-15-6-5-13-11(15)8-14(7-10(2)3)9-12(16)17/h5-6,10H,4,7-9H2,1-3H3,(H,16,17)
InChIKeyDNRHATWYRTZTLJ-UHFFFAOYSA-N
XLogP1.45
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic 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-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid
CID 62737156
2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 112650859
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
ethyl 2-[(1-ethylimidazol-2-yl)methyl-prop-2-enylamino]acetate
CID 78990097
2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
CID 115529611
1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502
4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one
CID 79745031
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
3-[N-[(1-ethylimidazol-2-yl)methyl]-4-methylanilino]propanoic acid
CID 62736050
5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one
CID 79760691
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
CID 114938741

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid (CID 55148594) is 2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid is CCn1ccnc1CN(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is DNRHATWYRTZTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-15-6-5-13-11(15)8-14(7-10(2)3)9-12(16)17/h5-6,10H,4,7-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid?
2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 239.32 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 55148594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).