(2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid

C19H27N3O2 — CID 97208739

IUPAC(2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
SMILESCc1nccn1CCN(C)[C@@H](C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H27N3O2/c1-14-20-10-11-22(14)13-12-21(5)17(18(23)24)15-6-8-16(9-7-15)19(2,3)4/h6-11,17H,12-13H2,1-5H3,(H,23,24)/t17-/m1/s1
InChIKeyUVODNIZCPAKEML-QGZVFWFLSA-N
MW329.44 g/mol
LogP3.25
Rot. Bonds6

About (2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid

(2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid (PubChem CID 97208739) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
PubChem CID97208739
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
SMILESCc1nccn1CCN(C)[C@@H](C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H27N3O2/c1-14-20-10-11-22(14)13-12-21(5)17(18(23)24)15-6-8-16(9-7-15)19(2,3)4/h6-11,17H,12-13H2,1-5H3,(H,23,24)/t17-/m1/s1
InChIKeyUVODNIZCPAKEML-QGZVFWFLSA-N
XLogP3.25
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid?
The IUPAC name of (2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid (CID 97208739) is (2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid?
The canonical SMILES for (2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid is Cc1nccn1CCN(C)[C@@H](C(=O)O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid?
The InChIKey is UVODNIZCPAKEML-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-20-10-11-22(14)13-12-21(5)17(18(23)24)15-6-8-16(9-7-15)19(2,3)4/h6-11,17H,12-13H2,1-5H3,(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid?
(2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid has a molecular weight of 329.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 97208739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).