2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid

C11H22N2O3 — CID 64534343

IUPAC2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid
SMILESCC(NCC1CN(C(C)C)CCO1)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-8(2)13-4-5-16-10(7-13)6-12-9(3)11(14)15/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyLUSXOUCNQQGBCT-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.16
Rot. Bonds5

About 2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid

2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid (PubChem CID 64534343) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid
PubChem CID64534343
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid
SMILESCC(NCC1CN(C(C)C)CCO1)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-8(2)13-4-5-16-10(7-13)6-12-9(3)11(14)15/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyLUSXOUCNQQGBCT-UHFFFAOYSA-N
XLogP0.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid
CID 64534544
1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168185
N-[(4-propan-2-ylmorpholin-2-yl)methyl]hexan-3-amine
CID 64532904
tert-butyl N-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]carbamate
CID 163975726
2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]propanoic acid
CID 64913956
2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945177
2,3-dimethyl-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]butan-2-ol
CID 106189997
3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]butanoic acid
CID 105354724
1-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 65109049
2-methyl-3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxolan-3-ol
CID 106101133
2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid?
The IUPAC name of 2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid (CID 64534343) is 2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid?
The canonical SMILES for 2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid is CC(NCC1CN(C(C)C)CCO1)C(=O)O.
What is the InChIKey of 2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid?
The InChIKey is LUSXOUCNQQGBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)13-4-5-16-10(7-13)6-12-9(3)11(14)15/h8-10,12H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid?
2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid is sourced from PubChem (CID 64534343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).