ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate

C19H26N2O4 — CID 125142667

IUPACethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1cccc(NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)c1
InChIInChI=1S/C19H26N2O4/c1-2-24-18(22)13-14-6-3-7-15(12-14)20-19(23)21-10-4-8-16(21)17-9-5-11-25-17/h3,6-7,12,16-17H,2,4-5,8-11,13H2,1H3,(H,20,23)/t16-,17-/m1/s1
InChIKeyPADNHUFODLCLEZ-IAGOWNOFSA-N
MW346.43 g/mol
LogP2.97
Rot. Bonds5

About ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate

ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate (PubChem CID 125142667) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate
PubChem CID125142667
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nameethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1cccc(NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)c1
InChIInChI=1S/C19H26N2O4/c1-2-24-18(22)13-14-6-3-7-15(12-14)20-19(23)21-10-4-8-16(21)17-9-5-11-25-17/h3,6-7,12,16-17H,2,4-5,8-11,13H2,1H3,(H,20,23)/t16-,17-/m1/s1
InChIKeyPADNHUFODLCLEZ-IAGOWNOFSA-N
XLogP2.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate?
The IUPAC name of ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate (CID 125142667) is ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate is CCOC(=O)Cc1cccc(NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)c1.
What is the InChIKey of ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate?
The InChIKey is PADNHUFODLCLEZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-2-24-18(22)13-14-6-3-7-15(12-14)20-19(23)21-10-4-8-16(21)17-9-5-11-25-17/h3,6-7,12,16-17H,2,4-5,8-11,13H2,1H3,(H,20,23)/t16-,17-/m1/s1.
What are the key properties of ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate?
ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate has a molecular weight of 346.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 125142667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).