3-methyl-2-morpholin-4-ylpentanoic acid

C10H19NO3 — CID 61319548

IUPAC3-methyl-2-morpholin-4-ylpentanoic acid
SMILESCCC(C)C(C(=O)O)N1CCOCC1
InChIInChI=1S/C10H19NO3/c1-3-8(2)9(10(12)13)11-4-6-14-7-5-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyUJVRWTUOVAHSQP-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.82
Rot. Bonds4

About 3-methyl-2-morpholin-4-ylpentanoic acid

3-methyl-2-morpholin-4-ylpentanoic acid (PubChem CID 61319548) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-methyl-2-morpholin-4-ylpentanoic acid.

Molecular Properties

Compound Name3-methyl-2-morpholin-4-ylpentanoic acid
PubChem CID61319548
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-methyl-2-morpholin-4-ylpentanoic acid
SMILESCCC(C)C(C(=O)O)N1CCOCC1
InChIInChI=1S/C10H19NO3/c1-3-8(2)9(10(12)13)11-4-6-14-7-5-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyUJVRWTUOVAHSQP-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-pyrrolidin-1-ylpentanoic acid
CID 23008915
3-methyl-2-morpholin-4-ylbutanoic acid
CID 43104020
3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid
CID 65420109
2-(2,5-dihydropyrrol-1-yl)-3-methylpentanoic acid
CID 64681872
3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid
CID 79687657
3-ethyl-2-morpholin-4-ylpentanamide
CID 154739613
methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate
CID 101419276
2-[16-(1-carboxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoic acid
CID 15241477
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078
(2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid
CID 119364378
2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid
CID 79687344
4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid
CID 3312061

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-morpholin-4-ylpentanoic acid?
The IUPAC name of 3-methyl-2-morpholin-4-ylpentanoic acid (CID 61319548) is 3-methyl-2-morpholin-4-ylpentanoic acid.
What is the SMILES notation for 3-methyl-2-morpholin-4-ylpentanoic acid?
The canonical SMILES for 3-methyl-2-morpholin-4-ylpentanoic acid is CCC(C)C(C(=O)O)N1CCOCC1.
What is the InChIKey of 3-methyl-2-morpholin-4-ylpentanoic acid?
The InChIKey is UJVRWTUOVAHSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-8(2)9(10(12)13)11-4-6-14-7-5-11/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-2-morpholin-4-ylpentanoic acid?
3-methyl-2-morpholin-4-ylpentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-morpholin-4-ylpentanoic acid is sourced from PubChem (CID 61319548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).