tert-butyl (2S)-2-morpholin-4-ylbutanoate

C12H23NO3 — CID 164532351

IUPACtert-butyl (2S)-2-morpholin-4-ylbutanoate
SMILESCC[C@@H](C(=O)OC(C)(C)C)N1CCOCC1
InChIInChI=1S/C12H23NO3/c1-5-10(11(14)16-12(2,3)4)13-6-8-15-9-7-13/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyBDJSLEPFCNXPGP-JTQLQIEISA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds3

About tert-butyl (2S)-2-morpholin-4-ylbutanoate

tert-butyl (2S)-2-morpholin-4-ylbutanoate (PubChem CID 164532351) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl (2S)-2-morpholin-4-ylbutanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-morpholin-4-ylbutanoate
PubChem CID164532351
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl (2S)-2-morpholin-4-ylbutanoate
SMILESCC[C@@H](C(=O)OC(C)(C)C)N1CCOCC1
InChIInChI=1S/C12H23NO3/c1-5-10(11(14)16-12(2,3)4)13-6-8-15-9-7-13/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyBDJSLEPFCNXPGP-JTQLQIEISA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(1,4-oxazepan-4-yl)propanoate
CID 64687533
1-O-tert-butyl 4-O-ethyl (2S)-2-pyrrolidin-1-ylbutanedioate
CID 70429777
tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
CID 102729414
3-methyl-2-morpholin-4-ylpentanoic acid
CID 61319548
4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid
CID 3312061
tert-butyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]butanoate
CID 122139262
tert-butyl (2R,3S)-3-methyl-2-[[2-[16-[2-[[(2S,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]pentanoate
CID 99676610
(2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate
CID 101146486
tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate
CID 121437761
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
CID 80979649
tert-butyl morpholine-4-carboxylate;propan-1-ol
CID 145379856
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-morpholin-4-ylbutanoate?
The IUPAC name of tert-butyl (2S)-2-morpholin-4-ylbutanoate (CID 164532351) is tert-butyl (2S)-2-morpholin-4-ylbutanoate.
What is the SMILES notation for tert-butyl (2S)-2-morpholin-4-ylbutanoate?
The canonical SMILES for tert-butyl (2S)-2-morpholin-4-ylbutanoate is CC[C@@H](C(=O)OC(C)(C)C)N1CCOCC1.
What is the InChIKey of tert-butyl (2S)-2-morpholin-4-ylbutanoate?
The InChIKey is BDJSLEPFCNXPGP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-10(11(14)16-12(2,3)4)13-6-8-15-9-7-13/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of tert-butyl (2S)-2-morpholin-4-ylbutanoate?
tert-butyl (2S)-2-morpholin-4-ylbutanoate has a molecular weight of 229.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-morpholin-4-ylbutanoate is sourced from PubChem (CID 164532351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).