6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

C15H17NO5 — CID 8902909

IUPAC6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
SMILESO=C(O)c1cc2c(cc1NC(=O)C1CCCC1)OCCO2
InChIInChI=1S/C15H17NO5/c17-14(9-3-1-2-4-9)16-11-8-13-12(20-5-6-21-13)7-10(11)15(18)19/h7-9H,1-6H2,(H,16,17)(H,18,19)
InChIKeyDNPKOOIBXNPMDZ-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.28
Rot. Bonds3

About 6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid (PubChem CID 8902909) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
PubChem CID8902909
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
SMILESO=C(O)c1cc2c(cc1NC(=O)C1CCCC1)OCCO2
InChIInChI=1S/C15H17NO5/c17-14(9-3-1-2-4-9)16-11-8-13-12(20-5-6-21-13)7-10(11)15(18)19/h7-9H,1-6H2,(H,16,17)(H,18,19)
InChIKeyDNPKOOIBXNPMDZ-UHFFFAOYSA-N
XLogP2.28
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dimethoxyanthranilic acid
CID 79736
Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate
CID 3146109
2-(Furan-2-amido)-4,5-dimethoxybenzoic acid
CID 717927
9-Hydroxy-2,3-dihydro[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid
CID 2874795
2-Amino-5-ethoxy-4-methoxybenzoic acid
CID 4962862
Avenanthramide 2
CID 101228785
N-(7-(4-Methylbenzoyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
CID 1252935
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 804546
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
2-(3-Ethyl-ureido)-4,5-dimethoxy-benzoic acid
CID 920391
2-[(2-Benzylsulfanylacetyl)amino]-4,5-dimethoxybenzoic acid
CID 1311451
Methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate
CID 584792

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
The IUPAC name of 6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid (CID 8902909) is 6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid.
What is the SMILES notation for 6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
The canonical SMILES for 6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid is O=C(O)c1cc2c(cc1NC(=O)C1CCCC1)OCCO2.
What is the InChIKey of 6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
The InChIKey is DNPKOOIBXNPMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c17-14(9-3-1-2-4-9)16-11-8-13-12(20-5-6-21-13)7-10(11)15(18)19/h7-9H,1-6H2,(H,16,17)(H,18,19).
What are the key properties of 6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid is sourced from PubChem (CID 8902909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).