ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate

C14H17NO4 — CID 2169884

IUPACethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C14H17NO4/c1-2-18-14(17)10-5-3-6-11(9-10)15-13(16)12-7-4-8-19-12/h3,5-6,9,12H,2,4,7-8H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyLJNJGKLSDYVJRF-GFCCVEGCSA-N
MW263.29 g/mol
LogP1.98
Rot. Bonds4

About ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate

ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate (PubChem CID 2169884) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
PubChem CID2169884
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C14H17NO4/c1-2-18-14(17)10-5-3-6-11(9-10)15-13(16)12-7-4-8-19-12/h3,5-6,9,12H,2,4,7-8H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyLJNJGKLSDYVJRF-GFCCVEGCSA-N
XLogP1.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1,2,4-oxadiazol-3-yl)methyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 95336116
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
cyclooctyl 3-[[(2S)-oxolane-2-carbonyl]amino]benzoate
CID 97011530
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide
CID 46642904
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943946
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 94489977
N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634844
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 119643641
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
(2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]oxolane-2-carboxamide
CID 38396649

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate (CID 2169884) is ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1.
What is the InChIKey of ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate?
The InChIKey is LJNJGKLSDYVJRF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-18-14(17)10-5-3-6-11(9-10)15-13(16)12-7-4-8-19-12/h3,5-6,9,12H,2,4,7-8H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate?
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate has a molecular weight of 263.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate is sourced from PubChem (CID 2169884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).