(2S)-3-methyl-2-morpholin-4-ylbutanoic acid

C9H17NO3 — CID 29300003

IUPAC(2S)-3-methyl-2-morpholin-4-ylbutanoic acid
SMILESCC(C)[C@@H](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)/t8-/m0/s1
InChIKeyOPLWEDUAHFKFOR-QMMMGPOBSA-N
MW187.24 g/mol
LogP0.43
Rot. Bonds3

About (2S)-3-methyl-2-morpholin-4-ylbutanoic acid

(2S)-3-methyl-2-morpholin-4-ylbutanoic acid (PubChem CID 29300003) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2S)-3-methyl-2-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-morpholin-4-ylbutanoic acid
PubChem CID29300003
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2S)-3-methyl-2-morpholin-4-ylbutanoic acid
SMILESCC(C)[C@@H](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)/t8-/m0/s1
InChIKeyOPLWEDUAHFKFOR-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-morpholin-4-ylbutanoic acid?
The IUPAC name of (2S)-3-methyl-2-morpholin-4-ylbutanoic acid (CID 29300003) is (2S)-3-methyl-2-morpholin-4-ylbutanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-morpholin-4-ylbutanoic acid?
The canonical SMILES for (2S)-3-methyl-2-morpholin-4-ylbutanoic acid is CC(C)[C@@H](C(=O)O)N1CCOCC1.
What is the InChIKey of (2S)-3-methyl-2-morpholin-4-ylbutanoic acid?
The InChIKey is OPLWEDUAHFKFOR-QMMMGPOBSA-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)/t8-/m0/s1.
What are the key properties of (2S)-3-methyl-2-morpholin-4-ylbutanoic acid?
(2S)-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 (2S)-3-methyl-2-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 29300003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).