1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid

C18H17NO4 — CID 69449187

IUPAC1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(NC1CCc2cc(C(=O)O)ccc21)OCc1ccccc1
InChIInChI=1S/C18H17NO4/c20-17(21)14-6-8-15-13(10-14)7-9-16(15)19-18(22)23-11-12-4-2-1-3-5-12/h1-6,8,10,16H,7,9,11H2,(H,19,22)(H,20,21)
InChIKeyUXHXLMNSXYGYDC-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.30
Rot. Bonds4

About 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid

1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 69449187) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID69449187
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(NC1CCc2cc(C(=O)O)ccc21)OCc1ccccc1
InChIInChI=1S/C18H17NO4/c20-17(21)14-6-8-15-13(10-14)7-9-16(15)19-18(22)23-11-12-4-2-1-3-5-12/h1-6,8,10,16H,7,9,11H2,(H,19,22)(H,20,21)
InChIKeyUXHXLMNSXYGYDC-UHFFFAOYSA-N
XLogP3.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid (CID 69449187) is 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(NC1CCc2cc(C(=O)O)ccc21)OCc1ccccc1.
What is the InChIKey of 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is UXHXLMNSXYGYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-17(21)14-6-8-15-13(10-14)7-9-16(15)19-18(22)23-11-12-4-2-1-3-5-12/h1-6,8,10,16H,7,9,11H2,(H,19,22)(H,20,21).
What are the key properties of 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 69449187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).