2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid

C15H17NO4 — CID 137462830

IUPAC2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid
SMILESO=C(O)COC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C15H17NO4/c17-13(18)8-20-15(19)16-14-11-5-1-3-9(11)7-10-4-2-6-12(10)14/h7H,1-6,8H2,(H,16,19)(H,17,18)
InChIKeyKVKISADMBKFOEO-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.30
Rot. Bonds3

About 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid

2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid (PubChem CID 137462830) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid.

Molecular Properties

Compound Name2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid
PubChem CID137462830
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid
SMILESO=C(O)COC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C15H17NO4/c17-13(18)8-20-15(19)16-14-11-5-1-3-9(11)7-10-4-2-6-12(10)14/h7H,1-6,8H2,(H,16,19)(H,17,18)
InChIKeyKVKISADMBKFOEO-UHFFFAOYSA-N
XLogP2.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid?
The IUPAC name of 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid (CID 137462830) is 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid.
What is the SMILES notation for 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid?
The canonical SMILES for 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid is O=C(O)COC(=O)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid?
The InChIKey is KVKISADMBKFOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-13(18)8-20-15(19)16-14-11-5-1-3-9(11)7-10-4-2-6-12(10)14/h7H,1-6,8H2,(H,16,19)(H,17,18).
What are the key properties of 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid?
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid has a molecular weight of 275.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetic acid is sourced from PubChem (CID 137462830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).