tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate

C18H32N2O6 — CID 124882642

IUPACtert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate
SMILESCCN(C[C@@H](C)C(=O)OC)C(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O6/c1-7-19(11-13(2)16(22)24-6)15(21)10-14-12-25-9-8-20(14)17(23)26-18(3,4)5/h13-14H,7-12H2,1-6H3/t13-,14+/m1/s1
InChIKeyHJJYDYGPBSEJKC-KGLIPLIRSA-N
MW372.46 g/mol
LogP1.67
Rot. Bonds6

About tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate

tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate (PubChem CID 124882642) has the molecular formula C18H32N2O6 and a molecular weight of 372.46 g/mol. Its IUPAC name is tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate
PubChem CID124882642
Molecular FormulaC18H32N2O6
Molecular Weight372.46 g/mol
Exact Mass372.23
IUPAC Nametert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate
SMILESCCN(C[C@@H](C)C(=O)OC)C(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O6/c1-7-19(11-13(2)16(22)24-6)15(21)10-14-12-25-9-8-20(14)17(23)26-18(3,4)5/h13-14H,7-12H2,1-6H3/t13-,14+/m1/s1
InChIKeyHJJYDYGPBSEJKC-KGLIPLIRSA-N
XLogP1.67
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-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

tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate
CID 165438860
tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate
CID 134168093
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
tert-butyl 3-[2-[(2-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855310
2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
CID 104855281
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate
CID 104855288
tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate
CID 104855381
tert-butyl 3-[2-[(3-methyloxetan-3-yl)methylamino]propyl]morpholine-4-carboxylate
CID 104855325

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate (CID 124882642) is tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate is CCN(C[C@@H](C)C(=O)OC)C(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate?
The InChIKey is HJJYDYGPBSEJKC-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H32N2O6/c1-7-19(11-13(2)16(22)24-6)15(21)10-14-12-25-9-8-20(14)17(23)26-18(3,4)5/h13-14H,7-12H2,1-6H3/t13-,14+/m1/s1.
What are the key properties of tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate?
tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate has a molecular weight of 372.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate is sourced from PubChem (CID 124882642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).