tert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate

C24H37N3O6 — CID 121356645

IUPACtert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
SMILESCC(c1ccc(CO)c(OCCN)c1)N(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CC1
InChIInChI=1S/C24H37N3O6/c1-16(17-5-6-18(15-28)20(13-17)31-11-9-25)27(19-7-8-19)22(29)21-14-26(10-12-32-21)23(30)33-24(2,3)4/h5-6,13,16,19,21,28H,7-12,14-15,25H2,1-4H3/t16?,21-/m1/s1
InChIKeyWWSSLUCQGIMXNF-CAWMZFRYSA-N
MW463.58 g/mol
LogP2.20
Rot. Bonds8

About tert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate

tert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate (PubChem CID 121356645) has the molecular formula C24H37N3O6 and a molecular weight of 463.58 g/mol. Its IUPAC name is tert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
PubChem CID121356645
Molecular FormulaC24H37N3O6
Molecular Weight463.58 g/mol
Exact Mass463.27
IUPAC Nametert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
SMILESCC(c1ccc(CO)c(OCCN)c1)N(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CC1
InChIInChI=1S/C24H37N3O6/c1-16(17-5-6-18(15-28)20(13-17)31-11-9-25)27(19-7-8-19)22(29)21-14-26(10-12-32-21)23(30)33-24(2,3)4/h5-6,13,16,19,21,28H,7-12,14-15,25H2,1-4H3/t16?,21-/m1/s1
InChIKeyWWSSLUCQGIMXNF-CAWMZFRYSA-N
XLogP2.20
TPSA114.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[cyclopropyl-[1-[4-hydroxy-3-(3-methoxypropoxy)phenyl]ethyl]carbamoyl]morpholine-4-carboxylate
CID 77474708
tert-butyl (2R)-2-[[2-bromo-4-hydroxy-5-(3-methoxypropoxy)phenyl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 126583389
(2R)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-3-(3-methoxypropoxy)phenyl]ethyl]morpholine-2-carboxamide
CID 118313065
tert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate
CID 66861475
tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494937
tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494528
tert-butyl (2R)-2-[cyclopropyl-[[1-[3-(methoxycarbonylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494795
tert-butyl (2R)-2-[cyclopropyl-[[3-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494882
tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indol-6-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494410
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
(1-deuterio-2-methylpropan-2-yl) 2-[cyclopropyl(1H-indol-3-ylmethyl)carbamoyl]morpholine-4-carboxylate
CID 87439218
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate (CID 121356645) is tert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate is CC(c1ccc(CO)c(OCCN)c1)N(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CC1.
What is the InChIKey of tert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
The InChIKey is WWSSLUCQGIMXNF-CAWMZFRYSA-N. The full InChI is InChI=1S/C24H37N3O6/c1-16(17-5-6-18(15-28)20(13-17)31-11-9-25)27(19-7-8-19)22(29)21-14-26(10-12-32-21)23(30)33-24(2,3)4/h5-6,13,16,19,21,28H,7-12,14-15,25H2,1-4H3/t16?,21-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate has a molecular weight of 463.58 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[1-[3-(2-aminoethoxy)-4-(hydroxymethyl)phenyl]ethyl-cyclopropylcarbamoyl]morpholine-4-carboxylate is sourced from PubChem (CID 121356645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).