methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate

C13H24N2O4 — CID 69416705

IUPACmethyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)9-10(11(16)18-4)14-12(17)15-5-7-19-8-6-15/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyHXFRVFHZARFGNR-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.01
Rot. Bonds3

About methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate

methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate (PubChem CID 69416705) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
PubChem CID69416705
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)9-10(11(16)18-4)14-12(17)15-5-7-19-8-6-15/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyHXFRVFHZARFGNR-UHFFFAOYSA-N
XLogP1.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate
CID 68821113
methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate
CID 3285258
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
CID 81077004
N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 86585198
methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate
CID 940643
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 91114761
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
CID 80979649
4,4-difluoro-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 76558764
N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22260467
diethyl 2-(morpholine-4-carbonylamino)propanedioate
CID 79151888

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate?
The IUPAC name of methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate (CID 69416705) is methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate.
What is the SMILES notation for methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate?
The canonical SMILES for methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate is COC(=O)C(CC(C)(C)C)NC(=O)N1CCOCC1.
What is the InChIKey of methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate?
The InChIKey is HXFRVFHZARFGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)9-10(11(16)18-4)14-12(17)15-5-7-19-8-6-15/h10H,5-9H2,1-4H3,(H,14,17).
What are the key properties of methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate?
methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate has a molecular weight of 272.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate is sourced from PubChem (CID 69416705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).