ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate

C13H18N2O3 — CID 13123931

IUPACethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate
SMILESCCOC(=O)Nc1c(O)cccc1N1CCCC1
InChIInChI=1S/C13H18N2O3/c1-2-18-13(17)14-12-10(6-5-7-11(12)16)15-8-3-4-9-15/h5-7,16H,2-4,8-9H2,1H3,(H,14,17)
InChIKeyDAHVKXVGDNSIKV-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.56
Rot. Bonds3

About ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate

ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate (PubChem CID 13123931) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate
PubChem CID13123931
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate
SMILESCCOC(=O)Nc1c(O)cccc1N1CCCC1
InChIInChI=1S/C13H18N2O3/c1-2-18-13(17)14-12-10(6-5-7-11(12)16)15-8-3-4-9-15/h5-7,16H,2-4,8-9H2,1H3,(H,14,17)
InChIKeyDAHVKXVGDNSIKV-UHFFFAOYSA-N
XLogP2.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxy-4-methyl-6-pyrrolidin-1-ylbenzoate
CID 12596796
N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide
CID 86938278
ethyl 2-amino-3-(azocan-1-yl)benzoate
CID 115544638
ethyl N-(6-pyrrolidin-1-yl-1,3-benzodioxol-5-yl)carbamate
CID 168513665
ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate
CID 24551621
ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate
CID 46700228
ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate
CID 4154822
ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921193
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride
CID 119872671
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
ethyl 3-(2-nitro-3-piperidin-1-ylphenyl)-2-oxopropanoate
CID 59796771
ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate
CID 110455453

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate?
The IUPAC name of ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate (CID 13123931) is ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate.
What is the SMILES notation for ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate?
The canonical SMILES for ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate is CCOC(=O)Nc1c(O)cccc1N1CCCC1.
What is the InChIKey of ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate?
The InChIKey is DAHVKXVGDNSIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-13(17)14-12-10(6-5-7-11(12)16)15-8-3-4-9-15/h5-7,16H,2-4,8-9H2,1H3,(H,14,17).
What are the key properties of ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate?
ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate has a molecular weight of 250.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate is sourced from PubChem (CID 13123931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).