4-(1-amino-1-carboxyethyl)benzoic acid

C10H11NO4 — CID 1222

IUPAC4-(1-amino-1-carboxyethyl)benzoic acid
SMILESCC(N)(C(=O)O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyDNCAZYRLRMTVSF-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.64
Rot. Bonds3

About 4-(1-amino-1-carboxyethyl)benzoic acid

4-(1-amino-1-carboxyethyl)benzoic acid (PubChem CID 1222) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-(1-amino-1-carboxyethyl)benzoic acid.

Molecular Properties

Compound Name4-(1-amino-1-carboxyethyl)benzoic acid
PubChem CID1222
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4-(1-amino-1-carboxyethyl)benzoic acid
SMILESCC(N)(C(=O)O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyDNCAZYRLRMTVSF-UHFFFAOYSA-N
XLogP0.64
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-1-carboxyethyl)benzoic acid?
The IUPAC name of 4-(1-amino-1-carboxyethyl)benzoic acid (CID 1222) is 4-(1-amino-1-carboxyethyl)benzoic acid.
What is the SMILES notation for 4-(1-amino-1-carboxyethyl)benzoic acid?
The canonical SMILES for 4-(1-amino-1-carboxyethyl)benzoic acid is CC(N)(C(=O)O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(1-amino-1-carboxyethyl)benzoic acid?
The InChIKey is DNCAZYRLRMTVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-(1-amino-1-carboxyethyl)benzoic acid?
4-(1-amino-1-carboxyethyl)benzoic acid has a molecular weight of 209.20 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-1-carboxyethyl)benzoic acid is sourced from PubChem (CID 1222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).