methyl 2-(morpholine-3-carbonylamino)butanoate

C10H18N2O4 — CID 119709002

IUPACmethyl 2-(morpholine-3-carbonylamino)butanoate
SMILESCCC(NC(=O)C1COCCN1)C(=O)OC
InChIInChI=1S/C10H18N2O4/c1-3-7(10(14)15-2)12-9(13)8-6-16-5-4-11-8/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyMVENVSFFQGGAES-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.96
Rot. Bonds4

About methyl 2-(morpholine-3-carbonylamino)butanoate

methyl 2-(morpholine-3-carbonylamino)butanoate (PubChem CID 119709002) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-(morpholine-3-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-(morpholine-3-carbonylamino)butanoate
PubChem CID119709002
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 2-(morpholine-3-carbonylamino)butanoate
SMILESCCC(NC(=O)C1COCCN1)C(=O)OC
InChIInChI=1S/C10H18N2O4/c1-3-7(10(14)15-2)12-9(13)8-6-16-5-4-11-8/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyMVENVSFFQGGAES-UHFFFAOYSA-N
XLogP-0.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 119709028
(2R)-3-hydroxy-2-(morpholine-3-carbonylamino)propanoic acid
CID 80750560
methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 119281420
N-[(2R)-1-aminopropan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 130674305
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-[(2R)-1-hydroxypropan-2-yl]morpholine-3-carboxamide
CID 107218691
methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride
CID 120922192
N-(4-hydroxybutan-2-yl)morpholine-3-carboxamide
CID 83177558
N-(2-hydroxy-3-methylpentyl)morpholine-3-carboxamide;hydrochloride
CID 119784019
N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride
CID 119860535
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
ethyl (3R)-morpholine-3-carboxylate
CID 46839508

Frequently Asked Questions

What is the IUPAC name of methyl 2-(morpholine-3-carbonylamino)butanoate?
The IUPAC name of methyl 2-(morpholine-3-carbonylamino)butanoate (CID 119709002) is methyl 2-(morpholine-3-carbonylamino)butanoate.
What is the SMILES notation for methyl 2-(morpholine-3-carbonylamino)butanoate?
The canonical SMILES for methyl 2-(morpholine-3-carbonylamino)butanoate is CCC(NC(=O)C1COCCN1)C(=O)OC.
What is the InChIKey of methyl 2-(morpholine-3-carbonylamino)butanoate?
The InChIKey is MVENVSFFQGGAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-7(10(14)15-2)12-9(13)8-6-16-5-4-11-8/h7-8,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of methyl 2-(morpholine-3-carbonylamino)butanoate?
methyl 2-(morpholine-3-carbonylamino)butanoate has a molecular weight of 230.26 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(morpholine-3-carbonylamino)butanoate is sourced from PubChem (CID 119709002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).