2-[carboxy(propan-2-yl)amino]benzoic acid

C11H13NO4 — CID 69006407

IUPAC2-[carboxy(propan-2-yl)amino]benzoic acid
SMILESCC(C)N(C(=O)O)c1ccccc1C(=O)O
InChIInChI=1S/C11H13NO4/c1-7(2)12(11(15)16)9-6-4-3-5-8(9)10(13)14/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKeyGCGMQGDUNXZYKE-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.28
Rot. Bonds3

About 2-[carboxy(propan-2-yl)amino]benzoic acid

2-[carboxy(propan-2-yl)amino]benzoic acid (PubChem CID 69006407) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[carboxy(propan-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[carboxy(propan-2-yl)amino]benzoic acid
PubChem CID69006407
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[carboxy(propan-2-yl)amino]benzoic acid
SMILESCC(C)N(C(=O)O)c1ccccc1C(=O)O
InChIInChI=1S/C11H13NO4/c1-7(2)12(11(15)16)9-6-4-3-5-8(9)10(13)14/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKeyGCGMQGDUNXZYKE-UHFFFAOYSA-N
XLogP2.28
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxy(propan-2-yl)amino]benzoic acid?
The IUPAC name of 2-[carboxy(propan-2-yl)amino]benzoic acid (CID 69006407) is 2-[carboxy(propan-2-yl)amino]benzoic acid.
What is the SMILES notation for 2-[carboxy(propan-2-yl)amino]benzoic acid?
The canonical SMILES for 2-[carboxy(propan-2-yl)amino]benzoic acid is CC(C)N(C(=O)O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[carboxy(propan-2-yl)amino]benzoic acid?
The InChIKey is GCGMQGDUNXZYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(2)12(11(15)16)9-6-4-3-5-8(9)10(13)14/h3-7H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxy(propan-2-yl)amino]benzoic acid?
2-[carboxy(propan-2-yl)amino]benzoic acid has a molecular weight of 223.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy(propan-2-yl)amino]benzoic acid is sourced from PubChem (CID 69006407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).