methyl (2R)-2-(morpholine-2-carbonylamino)propanoate

C9H16N2O4 — CID 119781299

IUPACmethyl (2R)-2-(morpholine-2-carbonylamino)propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)C1CNCCO1
InChIInChI=1S/C9H16N2O4/c1-6(9(13)14-2)11-8(12)7-5-10-3-4-15-7/h6-7,10H,3-5H2,1-2H3,(H,11,12)/t6-,7?/m1/s1
InChIKeyJGPIOHZUVULKBE-ULUSZKPHSA-N
MW216.24 g/mol
LogP-1.35
Rot. Bonds3

About methyl (2R)-2-(morpholine-2-carbonylamino)propanoate

methyl (2R)-2-(morpholine-2-carbonylamino)propanoate (PubChem CID 119781299) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl (2R)-2-(morpholine-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(morpholine-2-carbonylamino)propanoate
PubChem CID119781299
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namemethyl (2R)-2-(morpholine-2-carbonylamino)propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)C1CNCCO1
InChIInChI=1S/C9H16N2O4/c1-6(9(13)14-2)11-8(12)7-5-10-3-4-15-7/h6-7,10H,3-5H2,1-2H3,(H,11,12)/t6-,7?/m1/s1
InChIKeyJGPIOHZUVULKBE-ULUSZKPHSA-N
XLogP-1.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]morpholine-2-carboxamide
CID 130549246
methyl 2-methyl-3-(morpholine-2-carbonylamino)propanoate;hydrochloride
CID 119768677
(2R)-N-(1-cyclopropylethyl)morpholine-2-carboxamide
CID 131110683
N-[1-(oxan-4-yl)ethyl]morpholine-2-carboxamide
CID 103812297
N-(1-cyclopropylpropan-2-yl)morpholine-2-carboxamide;hydrochloride
CID 119784606
N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide
CID 107222342
(2R)-N-(2-aminopropyl)morpholine-2-carboxamide;hydrochloride
CID 130680040
(2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid
CID 107824146
(2R)-morpholine-2-carboxamide
CID 51600069
N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride
CID 119855874
N-[(1S)-1-(furan-2-yl)ethyl]morpholine-2-carboxamide
CID 81400797
(2R)-2-(morpholine-2-carbonylamino)pentanoic acid
CID 103869931

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(morpholine-2-carbonylamino)propanoate?
The IUPAC name of methyl (2R)-2-(morpholine-2-carbonylamino)propanoate (CID 119781299) is methyl (2R)-2-(morpholine-2-carbonylamino)propanoate.
What is the SMILES notation for methyl (2R)-2-(morpholine-2-carbonylamino)propanoate?
The canonical SMILES for methyl (2R)-2-(morpholine-2-carbonylamino)propanoate is COC(=O)[C@@H](C)NC(=O)C1CNCCO1.
What is the InChIKey of methyl (2R)-2-(morpholine-2-carbonylamino)propanoate?
The InChIKey is JGPIOHZUVULKBE-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(9(13)14-2)11-8(12)7-5-10-3-4-15-7/h6-7,10H,3-5H2,1-2H3,(H,11,12)/t6-,7?/m1/s1.
What are the key properties of methyl (2R)-2-(morpholine-2-carbonylamino)propanoate?
methyl (2R)-2-(morpholine-2-carbonylamino)propanoate has a molecular weight of 216.24 g/mol, XLogP of -1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(morpholine-2-carbonylamino)propanoate is sourced from PubChem (CID 119781299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).