2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid

C14H17NO5 — CID 107702822

IUPAC2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H17NO5/c1-14(13(19)20)4-2-3-11(14)15-12(18)8-5-9(16)7-10(17)6-8/h5-7,11,16-17H,2-4H2,1H3,(H,15,18)(H,19,20)
InChIKeyTWJDEDKTQFLVJM-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.47
Rot. Bonds3

About 2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 107702822) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID107702822
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H17NO5/c1-14(13(19)20)4-2-3-11(14)15-12(18)8-5-9(16)7-10(17)6-8/h5-7,11,16-17H,2-4H2,1H3,(H,15,18)(H,19,20)
InChIKeyTWJDEDKTQFLVJM-UHFFFAOYSA-N
XLogP1.47
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 107702822) is 2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is TWJDEDKTQFLVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-14(13(19)20)4-2-3-11(14)15-12(18)8-5-9(16)7-10(17)6-8/h5-7,11,16-17H,2-4H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 107702822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).