3-methyl-2-morpholin-4-ylbutanoic acid

C9H17NO3 — CID 43104020

IUPAC3-methyl-2-morpholin-4-ylbutanoic acid
SMILESCC(C)C(C(=O)O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-7(2)8(9(11)12)10-3-5-13-6-4-10/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyOPLWEDUAHFKFOR-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.43
Rot. Bonds3

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

3-methyl-2-morpholin-4-ylbutanoic acid (PubChem CID 43104020) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-methyl-2-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name3-methyl-2-morpholin-4-ylbutanoic acid
PubChem CID43104020
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-methyl-2-morpholin-4-ylbutanoic acid
SMILESCC(C)C(C(=O)O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-7(2)8(9(11)12)10-3-5-13-6-4-10/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyOPLWEDUAHFKFOR-UHFFFAOYSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-morpholin-4-ylpentanoic acid
CID 61319548
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078
3-methyl-2-(4-propan-2-ylpiperazin-1-yl)butanoic acid
CID 43585421
(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
CID 42304661
(2R)-3-methyl-2-morpholin-4-ylbutanehydrazide
CID 30403760
2-[16-(1-carboxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoic acid
CID 15241477
2-(4-ethylpiperazin-1-yl)-3-methylbutanoic acid
CID 22683944
2-hydroxy-2-morpholin-4-ylacetic acid
CID 12864793
(2R)-3-methyl-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid
CID 171599562
4-(1-tert-butylsulfonyl-1-diazo-3-methylbutan-2-yl)morpholine
CID 134925124
2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one
CID 166460737
3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid
CID 79687679

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-morpholin-4-ylbutanoic acid?
The IUPAC name of 3-methyl-2-morpholin-4-ylbutanoic acid (CID 43104020) is 3-methyl-2-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 3-methyl-2-morpholin-4-ylbutanoic acid?
The canonical SMILES for 3-methyl-2-morpholin-4-ylbutanoic acid is CC(C)C(C(=O)O)N1CCOCC1.
What is the InChIKey of 3-methyl-2-morpholin-4-ylbutanoic acid?
The InChIKey is OPLWEDUAHFKFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)8(9(11)12)10-3-5-13-6-4-10/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-methyl-2-morpholin-4-ylbutanoic acid?
3-methyl-2-morpholin-4-ylbutanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.43, 3 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-ylbutanoic acid is sourced from PubChem (CID 43104020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).