2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid

C11H22N2O3 — CID 79182955

IUPAC2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC1CN(C)CCO1
InChIInChI=1S/C11H22N2O3/c1-9(2)13(8-11(14)15)7-10-6-12(3)4-5-16-10/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyBLEWEQAQCGERQL-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.11
Rot. Bonds5

About 2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid

2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid (PubChem CID 79182955) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid
PubChem CID79182955
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC1CN(C)CCO1
InChIInChI=1S/C11H22N2O3/c1-9(2)13(8-11(14)15)7-10-6-12(3)4-5-16-10/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyBLEWEQAQCGERQL-UHFFFAOYSA-N
XLogP0.11
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid
CID 107440392
2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid
CID 79182777
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
CID 145006678
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid
CID 66565406
2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96553143
N,N-dimethyl-2-(4-methylmorpholin-2-yl)acetamide
CID 143368869
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
CID 103498729
2-(4-methylmorpholin-2-yl)-1-pyrrolidin-1-ylethanone
CID 69087752
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79171481

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid (CID 79182955) is 2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)CC1CN(C)CCO1.
What is the InChIKey of 2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid?
The InChIKey is BLEWEQAQCGERQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(2)13(8-11(14)15)7-10-6-12(3)4-5-16-10/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid?
2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid has a molecular weight of 230.31 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 79182955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).