ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate

C19H26N2O4 — CID 169151613

IUPACethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN=C1c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H26N2O4/c1-5-24-17(22)15-7-6-12-20-16(15)13-8-10-14(11-9-13)21-18(23)25-19(2,3)4/h8-11,15H,5-7,12H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyPEMPMAMWMGFQOI-OAHLLOKOSA-N
MW346.43 g/mol
LogP3.80
Rot. Bonds4

About ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate

ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate (PubChem CID 169151613) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate
PubChem CID169151613
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nameethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN=C1c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H26N2O4/c1-5-24-17(22)15-7-6-12-20-16(15)13-8-10-14(11-9-13)21-18(23)25-19(2,3)4/h8-11,15H,5-7,12H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyPEMPMAMWMGFQOI-OAHLLOKOSA-N
XLogP3.80
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-ethyl (1R,2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopropane-1-carboxylate
CID 25111498
ethyl (2R,3S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylate;ethyl (2S,3R)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylate
CID 154809531
ethyl 1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]piperidine-3-carboxylate
CID 46612194
ethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate
CID 98083148
tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate
CID 107240491
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carboxylate
CID 53393346
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786
ethyl (3S)-1-(2-methylbenzoyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylate
CID 67463389
tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
CID 65143042
tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
CID 107239571
tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
CID 107239611

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate?
The IUPAC name of ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate (CID 169151613) is ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate.
What is the SMILES notation for ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate?
The canonical SMILES for ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate is CCOC(=O)[C@@H]1CCCN=C1c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate?
The InChIKey is PEMPMAMWMGFQOI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-5-24-17(22)15-7-6-12-20-16(15)13-8-10-14(11-9-13)21-18(23)25-19(2,3)4/h8-11,15H,5-7,12H2,1-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate?
ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate is sourced from PubChem (CID 169151613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).