2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid

C12H17NO3 — CID 138423714

IUPAC2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1ccccc1O
InChIInChI=1S/C12H17NO3/c1-9(2)7-13(8-12(15)16)10-5-3-4-6-11(10)14/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyXXADQQJDROAZFX-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.94
Rot. Bonds5

About 2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid

2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid (PubChem CID 138423714) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid
PubChem CID138423714
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1ccccc1O
InChIInChI=1S/C12H17NO3/c1-9(2)7-13(8-12(15)16)10-5-3-4-6-11(10)14/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyXXADQQJDROAZFX-UHFFFAOYSA-N
XLogP1.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-hydroxy-N-(2-methylpropyl)anilino]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-[2-ethylsulfonyl-N-(2-methylpropyl)anilino]acetic acid
CID 63064144
2-[3-bromo-2-carbamoyl-N-(2-methylpropyl)anilino]acetic acid
CID 114880155
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010
2-[N-(carboxymethyl)-2-sulfanylanilino]acetic acid
CID 23422801
2-[N-(4-methylpentyl)anilino]acetic acid
CID 83158703
2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 107687977
2-[2-bromo-4-carbamoyl-N-(2-methylpropyl)anilino]acetic acid
CID 82797152
2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid
CID 63229334
2-[5-chloro-2-cyano-N-(2-methylpropyl)anilino]acetic acid
CID 55181163
2-[2-methylpropyl-(3-nitro-4-pyridinyl)amino]acetic acid
CID 63064145
2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid
CID 63118737
2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid?
The IUPAC name of 2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid (CID 138423714) is 2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid?
The canonical SMILES for 2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid is CC(C)CN(CC(=O)O)c1ccccc1O.
What is the InChIKey of 2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid?
The InChIKey is XXADQQJDROAZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(2)7-13(8-12(15)16)10-5-3-4-6-11(10)14/h3-6,9,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid?
2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid has a molecular weight of 223.27 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid is sourced from PubChem (CID 138423714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).