tert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate

C18H27ClN2O4 — CID 66861475

IUPACtert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC([C@@H](OCCN)c2cccc(Cl)c2)C1
InChIInChI=1S/C18H27ClN2O4/c1-18(2,3)25-17(22)21-8-10-23-15(12-21)16(24-9-7-20)13-5-4-6-14(19)11-13/h4-6,11,15-16H,7-10,12,20H2,1-3H3/t15?,16-/m0/s1
InChIKeyMJFLHSWAMSAWKE-LYKKTTPLSA-N
MW370.88 g/mol
LogP2.99
Rot. Bonds5

About tert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate

tert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate (PubChem CID 66861475) has the molecular formula C18H27ClN2O4 and a molecular weight of 370.88 g/mol. Its IUPAC name is tert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate
PubChem CID66861475
Molecular FormulaC18H27ClN2O4
Molecular Weight370.88 g/mol
Exact Mass370.17
IUPAC Nametert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC([C@@H](OCCN)c2cccc(Cl)c2)C1
InChIInChI=1S/C18H27ClN2O4/c1-18(2,3)25-17(22)21-8-10-23-15(12-21)16(24-9-7-20)13-5-4-6-14(19)11-13/h4-6,11,15-16H,7-10,12,20H2,1-3H3/t15?,16-/m0/s1
InChIKeyMJFLHSWAMSAWKE-LYKKTTPLSA-N
XLogP2.99
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(S)-(3-chlorophenyl)-[2-(methoxycarbonylamino)ethoxy]methyl]morpholine-4-carboxylate
CID 66863138
tert-butyl (2R)-2-[(R)-amino-(4-chloro-3-fluorophenyl)methyl]morpholine-4-carboxylate
CID 140626344
tert-butyl 2-[(2-chloro-4-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine-4-carboxylate
CID 72634623
tert-butyl 3-[(R)-(3-chlorophenyl)-[2-(methoxycarbonylamino)ethoxy]methyl]azepane-1-carboxylate
CID 68708683
tert-butyl 3-[(3-chlorophenyl)-iodomethyl]azetidine-1-carboxylate
CID 154662324
tert-butyl (3R)-3-[(R)-2-aminoethoxy-(5-chloro-2-methylphenyl)methyl]piperidine-1-carboxylate
CID 58011528
tert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate
CID 68544973
tert-butyl 3-[1-(2-aminoethoxy)-1-(3-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 72529637
tert-butyl (3R)-3-[(3-chlorophenyl)-[2-(ethylamino)-2-oxoethoxy]methyl]piperidine-1-carboxylate
CID 59201433
tert-butyl (3R)-4-(3-chlorophenyl)-3-methylpiperazine-1-carboxylate
CID 150433526
tert-butyl 3-[1-(3-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 143486993
tert-butyl (3R)-3-[(R)-(3-chlorophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 44555022

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate (CID 66861475) is tert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC([C@@H](OCCN)c2cccc(Cl)c2)C1.
What is the InChIKey of tert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate?
The InChIKey is MJFLHSWAMSAWKE-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H27ClN2O4/c1-18(2,3)25-17(22)21-8-10-23-15(12-21)16(24-9-7-20)13-5-4-6-14(19)11-13/h4-6,11,15-16H,7-10,12,20H2,1-3H3/t15?,16-/m0/s1.
What are the key properties of tert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate?
tert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate has a molecular weight of 370.88 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(S)-2-aminoethoxy-(3-chlorophenyl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 66861475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).