[2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate

C14H17NO5 — CID 2536840

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)NC1CCCC1
InChIInChI=1S/C14H17NO5/c16-10-5-6-11(12(17)7-10)14(19)20-8-13(18)15-9-3-1-2-4-9/h5-7,9,16-17H,1-4,8H2,(H,15,18)
InChIKeyLOOHPHIZQIBOBQ-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.31
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate

[2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate (PubChem CID 2536840) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
PubChem CID2536840
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)NC1CCCC1
InChIInChI=1S/C14H17NO5/c16-10-5-6-11(12(17)7-10)14(19)20-8-13(18)15-9-3-1-2-4-9/h5-7,9,16-17H,1-4,8H2,(H,15,18)
InChIKeyLOOHPHIZQIBOBQ-UHFFFAOYSA-N
XLogP1.31
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536941
[2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536846
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 11926244
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 7500066
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2648611
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768674
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 9467892
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate (CID 2536840) is [2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The InChIKey is LOOHPHIZQIBOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c16-10-5-6-11(12(17)7-10)14(19)20-8-13(18)15-9-3-1-2-4-9/h5-7,9,16-17H,1-4,8H2,(H,15,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate has a molecular weight of 279.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 2536840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).