2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid

C15H23NO3 — CID 62820426

IUPAC2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)(O)c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-5-16(14(2,3)13(17)18)11-15(4,19)12-9-7-6-8-10-12/h6-10,19H,5,11H2,1-4H3,(H,17,18)
InChIKeyQVSJVVZSRFCVQE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.08
Rot. Bonds6

About 2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid

2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid (PubChem CID 62820426) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid
PubChem CID62820426
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)(O)c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-5-16(14(2,3)13(17)18)11-15(4,19)12-9-7-6-8-10-12/h6-10,19H,5,11H2,1-4H3,(H,17,18)
InChIKeyQVSJVVZSRFCVQE-UHFFFAOYSA-N
XLogP2.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic 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-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061531
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62821021
1-[ethyl(propan-2-yl)amino]-2-phenylpropan-2-ol
CID 62374985
2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid
CID 65061764
2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid
CID 62820463
3-[(2-hydroxy-2-phenylpropyl)-methylamino]propanoic acid
CID 62373211
2-(diethylamino)-3-methyl-2-phenylbutanoic acid
CID 61340321
2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid
CID 62822180
2,2-diethyl-3-methyl-3-phenylbutanoic acid
CID 68577866
2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid
CID 79355288
2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid
CID 62375672
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid
CID 135991285

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid (CID 62820426) is 2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid is CCN(CC(C)(O)c1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid?
The InChIKey is QVSJVVZSRFCVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-16(14(2,3)13(17)18)11-15(4,19)12-9-7-6-8-10-12/h6-10,19H,5,11H2,1-4H3,(H,17,18).
What are the key properties of 2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid?
2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62820426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).