methyl 2-amino-4-morpholin-4-ylbutanoate

C9H18N2O3 — CID 22907122

IUPACmethyl 2-amino-4-morpholin-4-ylbutanoate
SMILESCOC(=O)C(N)CCN1CCOCC1
InChIInChI=1S/C9H18N2O3/c1-13-9(12)8(10)2-3-11-4-6-14-7-5-11/h8H,2-7,10H2,1H3
InChIKeyBJJYCBMJHHEERY-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.79
Rot. Bonds4

About methyl 2-amino-4-morpholin-4-ylbutanoate

methyl 2-amino-4-morpholin-4-ylbutanoate (PubChem CID 22907122) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-amino-4-morpholin-4-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-morpholin-4-ylbutanoate
PubChem CID22907122
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 2-amino-4-morpholin-4-ylbutanoate
SMILESCOC(=O)C(N)CCN1CCOCC1
InChIInChI=1S/C9H18N2O3/c1-13-9(12)8(10)2-3-11-4-6-14-7-5-11/h8H,2-7,10H2,1H3
InChIKeyBJJYCBMJHHEERY-UHFFFAOYSA-N
XLogP-0.79
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-morpholin-4-ylbutanoate?
The IUPAC name of methyl 2-amino-4-morpholin-4-ylbutanoate (CID 22907122) is methyl 2-amino-4-morpholin-4-ylbutanoate.
What is the SMILES notation for methyl 2-amino-4-morpholin-4-ylbutanoate?
The canonical SMILES for methyl 2-amino-4-morpholin-4-ylbutanoate is COC(=O)C(N)CCN1CCOCC1.
What is the InChIKey of methyl 2-amino-4-morpholin-4-ylbutanoate?
The InChIKey is BJJYCBMJHHEERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-13-9(12)8(10)2-3-11-4-6-14-7-5-11/h8H,2-7,10H2,1H3.
What are the key properties of methyl 2-amino-4-morpholin-4-ylbutanoate?
methyl 2-amino-4-morpholin-4-ylbutanoate has a molecular weight of 202.25 g/mol, XLogP of -0.79, 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-morpholin-4-ylbutanoate is sourced from PubChem (CID 22907122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).