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

C15H18N2O3 — CID 146503716

IUPAC2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C15H18N2O3/c18-13(19)8-16-15(20)17-14-11-5-1-3-9(11)7-10-4-2-6-12(10)14/h7H,1-6,8H2,(H,18,19)(H2,16,17,20)
InChIKeyFYUWBHIHISXZDP-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.87
Rot. Bonds3

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

2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid (PubChem CID 146503716) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid
PubChem CID146503716
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C15H18N2O3/c18-13(19)8-16-15(20)17-14-11-5-1-3-9(11)7-10-4-2-6-12(10)14/h7H,1-6,8H2,(H,18,19)(H2,16,17,20)
InChIKeyFYUWBHIHISXZDP-UHFFFAOYSA-N
XLogP1.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid?
The IUPAC name of 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid (CID 146503716) is 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid is O=C(O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid?
The InChIKey is FYUWBHIHISXZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-13(19)8-16-15(20)17-14-11-5-1-3-9(11)7-10-4-2-6-12(10)14/h7H,1-6,8H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid?
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid has a molecular weight of 274.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid is sourced from PubChem (CID 146503716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).