tert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate

C19H29NO6 — CID 66931951

IUPACtert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate
SMILESCCc1cc(C(=O)OC(C)(C)C)cc(C)c1OC[C@H](O)CNC(=O)CO
InChIInChI=1S/C19H29NO6/c1-6-13-8-14(18(24)26-19(3,4)5)7-12(2)17(13)25-11-15(22)9-20-16(23)10-21/h7-8,15,21-22H,6,9-11H2,1-5H3,(H,20,23)/t15-/m1/s1
InChIKeyFDMSNKIJTIPWKJ-OAHLLOKOSA-N
MW367.44 g/mol
LogP1.36
Rot. Bonds8

About tert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate

tert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate (PubChem CID 66931951) has the molecular formula C19H29NO6 and a molecular weight of 367.44 g/mol. Its IUPAC name is tert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate.

Molecular Properties

Compound Nametert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate
PubChem CID66931951
Molecular FormulaC19H29NO6
Molecular Weight367.44 g/mol
Exact Mass367.20
IUPAC Nametert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate
SMILESCCc1cc(C(=O)OC(C)(C)C)cc(C)c1OC[C@H](O)CNC(=O)CO
InChIInChI=1S/C19H29NO6/c1-6-13-8-14(18(24)26-19(3,4)5)7-12(2)17(13)25-11-15(22)9-20-16(23)10-21/h7-8,15,21-22H,6,9-11H2,1-5H3,(H,20,23)/t15-/m1/s1
InChIKeyFDMSNKIJTIPWKJ-OAHLLOKOSA-N
XLogP1.36
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate 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

2-hydroxy-N-[(2S)-2-hydroxy-3-[4-(N'-hydroxycarbamimidoyl)-2,6-dimethylphenoxy]propyl]acetamide
CID 86646442
N-[3-[2-ethyl-4-[3-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 25031864
tert-butyl 3-ethyl-5-methyl-4-phenylmethoxybenzoate
CID 66932009
N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 87208918
N-[(2S)-3-[2-ethyl-4-[5-(3-ethyl-4-formylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide;3-ethyl-4-formylbenzoic acid
CID 161201416
N-[(2S)-3-[2-ethyl-4-[5-(5-formyl-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 86646444
N-[3-[4-[5-[4-[(dimethylamino)methyl]-3-ethylphenyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 66932184
N-[(2R)-3-[4-[3-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 25070174
N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 68505037
N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 68505896
N-[3-[2-ethyl-6-methyl-4-[5-[2-(methylamino)-6-propylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 42605527
N-[(2R)-3-[2-ethyl-4-[5-[2-methoxy-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 68556887

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate?
The IUPAC name of tert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate (CID 66931951) is tert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate.
What is the SMILES notation for tert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate?
The canonical SMILES for tert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate is CCc1cc(C(=O)OC(C)(C)C)cc(C)c1OC[C@H](O)CNC(=O)CO.
What is the InChIKey of tert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate?
The InChIKey is FDMSNKIJTIPWKJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29NO6/c1-6-13-8-14(18(24)26-19(3,4)5)7-12(2)17(13)25-11-15(22)9-20-16(23)10-21/h7-8,15,21-22H,6,9-11H2,1-5H3,(H,20,23)/t15-/m1/s1.
What are the key properties of tert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate?
tert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate has a molecular weight of 367.44 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethyl-4-[(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propoxy]-5-methylbenzoate is sourced from PubChem (CID 66931951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).