5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid

C23H26N2O5 — CID 89247321

IUPAC5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid
SMILESCC1(C)c2ccccc2N(CCCCC(=O)O)C12C=Cc1cc(N(O)O)ccc1O2
InChIInChI=1S/C23H26N2O5/c1-22(2)18-7-3-4-8-19(18)24(14-6-5-9-21(26)27)23(22)13-12-16-15-17(25(28)29)10-11-20(16)30-23/h3-4,7-8,10-13,15,28-29H,5-6,9,14H2,1-2H3,(H,26,27)
InChIKeyJXRHRQKYNVZHSM-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.43
Rot. Bonds6

About 5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid

5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid (PubChem CID 89247321) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid.

Molecular Properties

Compound Name5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid
PubChem CID89247321
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid
SMILESCC1(C)c2ccccc2N(CCCCC(=O)O)C12C=Cc1cc(N(O)O)ccc1O2
InChIInChI=1S/C23H26N2O5/c1-22(2)18-7-3-4-8-19(18)24(14-6-5-9-21(26)27)23(22)13-12-16-15-17(25(28)29)10-11-20(16)30-23/h3-4,7-8,10-13,15,28-29H,5-6,9,14H2,1-2H3,(H,26,27)
InChIKeyJXRHRQKYNVZHSM-UHFFFAOYSA-N
XLogP4.43
TPSA93.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid?
The IUPAC name of 5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid (CID 89247321) is 5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid.
What is the SMILES notation for 5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid?
The canonical SMILES for 5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid is CC1(C)c2ccccc2N(CCCCC(=O)O)C12C=Cc1cc(N(O)O)ccc1O2.
What is the InChIKey of 5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid?
The InChIKey is JXRHRQKYNVZHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-22(2)18-7-3-4-8-19(18)24(14-6-5-9-21(26)27)23(22)13-12-16-15-17(25(28)29)10-11-20(16)30-23/h3-4,7-8,10-13,15,28-29H,5-6,9,14H2,1-2H3,(H,26,27).
What are the key properties of 5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid?
5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid has a molecular weight of 410.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid is sourced from PubChem (CID 89247321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).