4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid

C10H17NO5 — CID 112555118

IUPAC4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid
SMILESCC(C)OCC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C10H17NO5/c1-7(2)16-6-9(12)11-3-4-15-5-8(11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyLDTAIIFUENIZIG-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.28
Rot. Bonds4

About 4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid

4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid (PubChem CID 112555118) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid
PubChem CID112555118
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid
SMILESCC(C)OCC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C10H17NO5/c1-7(2)16-6-9(12)11-3-4-15-5-8(11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyLDTAIIFUENIZIG-UHFFFAOYSA-N
XLogP-0.28
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid
CID 125151644
(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
CID 125152966
(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513443
4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid
CID 119216678
(3S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153948
(3S)-4-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153950
(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125150368
(3R)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholine-3-carboxylic acid
CID 124513583
(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 124513489
(3S)-4-[2-(2-methoxy-4-methylphenoxy)acetyl]morpholine-3-carboxylic acid
CID 125149365
(3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125152734
4-[4-(4-methylphenyl)-4-oxobutanoyl]morpholine-3-carboxylic acid
CID 119215840

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid (CID 112555118) is 4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid is CC(C)OCC(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid?
The InChIKey is LDTAIIFUENIZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-7(2)16-6-9(12)11-3-4-15-5-8(11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid?
4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 112555118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).