methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate

C10H20N2O3 — CID 63029800

IUPACmethyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate
SMILESCOC(=O)C(N)CCN1CCOCC1C
InChIInChI=1S/C10H20N2O3/c1-8-7-15-6-5-12(8)4-3-9(11)10(13)14-2/h8-9H,3-7,11H2,1-2H3
InChIKeyMRRPGFVDMFFELK-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.40
Rot. Bonds4

About methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate

methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate (PubChem CID 63029800) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate
PubChem CID63029800
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate
SMILESCOC(=O)C(N)CCN1CCOCC1C
InChIInChI=1S/C10H20N2O3/c1-8-7-15-6-5-12(8)4-3-9(11)10(13)14-2/h8-9H,3-7,11H2,1-2H3
InChIKeyMRRPGFVDMFFELK-UHFFFAOYSA-N
XLogP-0.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylmorpholin-4-yl)propanoic acid
CID 43542324
2-amino-N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 120799910
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid
CID 63053517
methyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate
CID 79943465
methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55160526
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62643785
4-(3-methylmorpholin-4-yl)butan-1-ol
CID 43542485
methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate
CID 79623724
2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol
CID 64795516
(2R)-1-(3-methylmorpholin-4-yl)butan-2-amine
CID 130522087

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate?
The IUPAC name of methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate (CID 63029800) is methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate.
What is the SMILES notation for methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate?
The canonical SMILES for methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate is COC(=O)C(N)CCN1CCOCC1C.
What is the InChIKey of methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate?
The InChIKey is MRRPGFVDMFFELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8-7-15-6-5-12(8)4-3-9(11)10(13)14-2/h8-9H,3-7,11H2,1-2H3.
What are the key properties of methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate?
methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate has a molecular weight of 216.28 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate is sourced from PubChem (CID 63029800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).