1-amino-2,3-dihydroindene-1,5-dicarboxylic acid

C11H11NO4 — CID 2071

IUPAC1-amino-2,3-dihydroindene-1,5-dicarboxylic acid
SMILESNC1(C(=O)O)CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)
InChIKeyLSTPKMWNRWCNLS-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.57
Rot. Bonds2

About 1-amino-2,3-dihydroindene-1,5-dicarboxylic acid

1-amino-2,3-dihydroindene-1,5-dicarboxylic acid (PubChem CID 2071) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 1-amino-2,3-dihydroindene-1,5-dicarboxylic acid.

Molecular Properties

Compound Name1-amino-2,3-dihydroindene-1,5-dicarboxylic acid
PubChem CID2071
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name1-amino-2,3-dihydroindene-1,5-dicarboxylic acid
SMILESNC1(C(=O)O)CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)
InChIKeyLSTPKMWNRWCNLS-UHFFFAOYSA-N
XLogP0.57
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-Methyl-4-carboxyphenylglycine
CID 1222
(S)-alpha-methyl-4-carboxyphenylglycine
CID 446355
4-[(S)-amino(carboxy)methyl]-3-methylbenzoic acid
CID 5311261
alpha-Methyl-3-carboxyphenylalanine
CID 128015
1-Amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 233810
4-[Amino(carboxy)methyl]-3-methylbenzoic acid
CID 3931705
4-(1-Amino-1-carboxypropyl)benzoic acid
CID 3937355
(R)-1-Amino-indan-1,5-dicarboxylic acid
CID 6603702
2,6-Dimethyl-terephthalamic acid
CID 348284
1-Aminoindan-1,6-dicarboxylic acid
CID 10082221
1-Amino-2,3-dihydroindene-1,4-dicarboxylic acid
CID 10262931
2-amino-2,3-dihydro-1H-indene-5-carboxylic acid hydrochloride
CID 22719621

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3-dihydroindene-1,5-dicarboxylic acid?
The IUPAC name of 1-amino-2,3-dihydroindene-1,5-dicarboxylic acid (CID 2071) is 1-amino-2,3-dihydroindene-1,5-dicarboxylic acid.
What is the SMILES notation for 1-amino-2,3-dihydroindene-1,5-dicarboxylic acid?
The canonical SMILES for 1-amino-2,3-dihydroindene-1,5-dicarboxylic acid is NC1(C(=O)O)CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-amino-2,3-dihydroindene-1,5-dicarboxylic acid?
The InChIKey is LSTPKMWNRWCNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16).
What are the key properties of 1-amino-2,3-dihydroindene-1,5-dicarboxylic acid?
1-amino-2,3-dihydroindene-1,5-dicarboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3-dihydroindene-1,5-dicarboxylic acid is sourced from PubChem (CID 2071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).