methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate

C11H18N2O4 — CID 95786436

IUPACmethyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate
SMILESCOC(=O)[C@@H]1COCCN1CC(=O)NC1CC1
InChIInChI=1S/C11H18N2O4/c1-16-11(15)9-7-17-5-4-13(9)6-10(14)12-8-2-3-8/h8-9H,2-7H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyZCRMJAMEJWLFHI-VIFPVBQESA-N
MW242.27 g/mol
LogP-0.86
Rot. Bonds4

About methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate

methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate (PubChem CID 95786436) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate
PubChem CID95786436
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Namemethyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate
SMILESCOC(=O)[C@@H]1COCCN1CC(=O)NC1CC1
InChIInChI=1S/C11H18N2O4/c1-16-11(15)9-7-17-5-4-13(9)6-10(14)12-8-2-3-8/h8-9H,2-7H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyZCRMJAMEJWLFHI-VIFPVBQESA-N
XLogP-0.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 95786437
methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 113247741
methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate
CID 115670570
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
CID 115670529
methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate
CID 115670460
methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 115752681
methyl 4-[2-(dipropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 115670583
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl 4-(3-methylbut-2-enyl)morpholine-3-carboxylate
CID 115670618
methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate
CID 113296435
methyl 4-[(E)-but-2-enyl]morpholine-3-carboxylate
CID 115670620
methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
CID 97300104

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate?
The IUPAC name of methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate (CID 95786436) is methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate?
The canonical SMILES for methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate is COC(=O)[C@@H]1COCCN1CC(=O)NC1CC1.
What is the InChIKey of methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate?
The InChIKey is ZCRMJAMEJWLFHI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O4/c1-16-11(15)9-7-17-5-4-13(9)6-10(14)12-8-2-3-8/h8-9H,2-7H2,1H3,(H,12,14)/t9-/m0/s1.
What are the key properties of methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate?
methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate has a molecular weight of 242.27 g/mol, XLogP of -0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate is sourced from PubChem (CID 95786436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).