methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate

C11H20N2O4 — CID 119789338

IUPACmethyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate
SMILESCOC(=O)C(C)(C)CNC(=O)C1COCCN1
InChIInChI=1S/C11H20N2O4/c1-11(2,10(15)16-3)7-13-9(14)8-6-17-5-4-12-8/h8,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyHNFBKJNRYQDSNH-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.71
Rot. Bonds4

About methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate

methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate (PubChem CID 119789338) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate
PubChem CID119789338
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate
SMILESCOC(=O)C(C)(C)CNC(=O)C1COCCN1
InChIInChI=1S/C11H20N2O4/c1-11(2,10(15)16-3)7-13-9(14)8-6-17-5-4-12-8/h8,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyHNFBKJNRYQDSNH-UHFFFAOYSA-N
XLogP-0.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide
CID 114125129
N-(2-methyl-2-methylsulfanylpropyl)morpholine-3-carboxamide
CID 115739814
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-(5-hydroxy-2,2-dimethylpentyl)morpholine-3-carboxamide
CID 114150111
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
N-[2-(tert-butylamino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride
CID 119692656
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride
CID 119777591
2-(morpholine-3-carbonylamino)ethyl carbamate
CID 83209608
N-[(3-methoxyoxolan-3-yl)methyl]morpholine-3-carboxamide
CID 113450266
2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate
CID 118107617
N-(2-methyl-2-thiophen-2-ylpropyl)morpholine-3-carboxamide;hydrochloride
CID 119787636
(3R)-N-(2-aminoethyl)morpholine-3-carboxamide;hydrochloride
CID 130616444

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate (CID 119789338) is methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate is COC(=O)C(C)(C)CNC(=O)C1COCCN1.
What is the InChIKey of methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate?
The InChIKey is HNFBKJNRYQDSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,10(15)16-3)7-13-9(14)8-6-17-5-4-12-8/h8,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate?
methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate has a molecular weight of 244.29 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate is sourced from PubChem (CID 119789338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).