methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate

C15H28N2O4 — CID 24955383

IUPACmethyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
SMILESCCC(C)(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)OC
InChIInChI=1S/C15H28N2O4/c1-5-15(2,3)7-6-12(13(18)20-4)16-14(19)17-8-10-21-11-9-17/h12H,5-11H2,1-4H3,(H,16,19)/t12-/m0/s1
InChIKeyYVFQHPFACYMLKU-LBPRGKRZSA-N
MW300.40 g/mol
LogP1.79
Rot. Bonds6

About methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate

methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate (PubChem CID 24955383) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate.

Molecular Properties

Compound Namemethyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
PubChem CID24955383
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namemethyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
SMILESCCC(C)(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)OC
InChIInChI=1S/C15H28N2O4/c1-5-15(2,3)7-6-12(13(18)20-4)16-14(19)17-8-10-21-11-9-17/h12H,5-11H2,1-4H3,(H,16,19)/t12-/m0/s1
InChIKeyYVFQHPFACYMLKU-LBPRGKRZSA-N
XLogP1.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate?
The IUPAC name of methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate (CID 24955383) is methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate.
What is the SMILES notation for methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate?
The canonical SMILES for methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate is CCC(C)(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)OC.
What is the InChIKey of methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate?
The InChIKey is YVFQHPFACYMLKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-15(2,3)7-6-12(13(18)20-4)16-14(19)17-8-10-21-11-9-17/h12H,5-11H2,1-4H3,(H,16,19)/t12-/m0/s1.
What are the key properties of methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate?
methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate has a molecular weight of 300.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate is sourced from PubChem (CID 24955383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).