methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate

C11H20N2O4 — CID 940643

IUPACmethyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate
SMILESCOC(=O)[C@@H](NC(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C11H20N2O4/c1-8(2)9(10(14)16-3)12-11(15)13-4-6-17-7-5-13/h8-9H,4-7H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKeyJYMZGDMFZXZAED-VIFPVBQESA-N
MW244.29 g/mol
LogP0.23
Rot. Bonds3

About methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate

methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate (PubChem CID 940643) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate
PubChem CID940643
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate
SMILESCOC(=O)[C@@H](NC(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C11H20N2O4/c1-8(2)9(10(14)16-3)12-11(15)13-4-6-17-7-5-13/h8-9H,4-7H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKeyJYMZGDMFZXZAED-VIFPVBQESA-N
XLogP0.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide
CID 129144228
methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 5027485
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
N-(1-amino-3-methylbutan-2-yl)morpholine-4-carboxamide
CID 79155057
methyl (2S)-2-[[4-(4-iodophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
CID 58412987
methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
CID 69416705
N-(1-amino-4-methylpentan-3-yl)morpholine-4-carboxamide
CID 106357280
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
CID 80979649
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate
CID 3285258
methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate
CID 68821113
diethyl 2-(morpholine-4-carbonylamino)propanedioate
CID 79151888

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate?
The IUPAC name of methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate (CID 940643) is methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate.
What is the SMILES notation for methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate?
The canonical SMILES for methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate is COC(=O)[C@@H](NC(=O)N1CCOCC1)C(C)C.
What is the InChIKey of methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate?
The InChIKey is JYMZGDMFZXZAED-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(2)9(10(14)16-3)12-11(15)13-4-6-17-7-5-13/h8-9H,4-7H2,1-3H3,(H,12,15)/t9-/m0/s1.
What are the key properties of methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate?
methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate has a molecular weight of 244.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate is sourced from PubChem (CID 940643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).