1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid

C12H21NO3 — CID 58468897

IUPAC1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)C1CN(CC2(C(=O)O)CC2)CCO1
InChIInChI=1S/C12H21NO3/c1-9(2)10-7-13(5-6-16-10)8-12(3-4-12)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyLHFFAGVJXYNCQH-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.21
Rot. Bonds4

About 1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid

1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 58468897) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID58468897
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)C1CN(CC2(C(=O)O)CC2)CCO1
InChIInChI=1S/C12H21NO3/c1-9(2)10-7-13(5-6-16-10)8-12(3-4-12)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyLHFFAGVJXYNCQH-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid
CID 68756904
2-propan-2-yl-4-propylmorpholine
CID 58468712
1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone
CID 58469536
1-[[2-(1-aminoethyl)morpholin-4-yl]methyl]cyclopentan-1-ol
CID 115315434
(2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine
CID 97260572
2-methyl-1-(2-propan-2-ylmorpholin-4-yl)propan-2-amine;hydrochloride
CID 120848835
2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone
CID 102543735
1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 79170953
4-[(4-butan-2-ylpiperazin-1-yl)methyl]oxane-4-carboxylic acid
CID 62773888
4-(2-bromoprop-2-enyl)-2-propan-2-yl-1,4-oxazepane
CID 130636933
(2R)-4-methyl-2-propan-2-ylmorpholine
CID 155242186
4-(azocan-1-ylmethyl)oxane-4-carboxylic acid
CID 62392737

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid (CID 58468897) is 1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid is CC(C)C1CN(CC2(C(=O)O)CC2)CCO1.
What is the InChIKey of 1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is LHFFAGVJXYNCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(2)10-7-13(5-6-16-10)8-12(3-4-12)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid?
1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 58468897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).