(2R)-2-methyl-2-morpholin-4-ylbutanoic acid

C9H17NO3 — CID 30030650

IUPAC(2R)-2-methyl-2-morpholin-4-ylbutanoic acid
SMILESCC[C@](C)(C(=O)O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-3-9(2,8(11)12)10-4-6-13-7-5-10/h3-7H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeyQTLLHCKRRLPJFG-SECBINFHSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds3

About (2R)-2-methyl-2-morpholin-4-ylbutanoic acid

(2R)-2-methyl-2-morpholin-4-ylbutanoic acid (PubChem CID 30030650) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2R)-2-methyl-2-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-2-morpholin-4-ylbutanoic acid
PubChem CID30030650
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2R)-2-methyl-2-morpholin-4-ylbutanoic acid
SMILESCC[C@](C)(C(=O)O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-3-9(2,8(11)12)10-4-6-13-7-5-10/h3-7H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeyQTLLHCKRRLPJFG-SECBINFHSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2-(morpholin-4-yl)propanoic acid hydrochloride
CID 47003124
1-(Morpholin-4-yl)cyclopropane-1-carboxylic acid hydrochloride
CID 68758425
1-(Morpholin-4-yl)cyclopropane-1-carboxylic acid
CID 68758426
2-(2,6-Dimethylmorpholin-4-yl)-3-methylbutanoic acid hydrochloride
CID 45792325
1-(Morpholin-4-yl)cyclobutane-1-carboxylic acid hydrochloride
CID 165951002
Methyl 2-morpholinobutanoate
CID 11286908
2-(3,3-Dimethylmorpholin-4-yl)acetic acid
CID 57465005
2-Methyl-2-morpholinopropanoic acid
CID 13022018
1-(Morpholin-4-yl)cyclobutane-1-carboxylic acid
CID 62389657
2-(2,6-Dimethylmorpholin-4-yl)-3-methyl-butanoic acid
CID 20991671
Methyl 3-methyl-3-morpholin-4-ylbutanoate
CID 50905848
2-[Bis(2-methoxyethyl)amino]-3-methylbutanoic acid
CID 10966405

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-morpholin-4-ylbutanoic acid?
The IUPAC name of (2R)-2-methyl-2-morpholin-4-ylbutanoic acid (CID 30030650) is (2R)-2-methyl-2-morpholin-4-ylbutanoic acid.
What is the SMILES notation for (2R)-2-methyl-2-morpholin-4-ylbutanoic acid?
The canonical SMILES for (2R)-2-methyl-2-morpholin-4-ylbutanoic acid is CC[C@](C)(C(=O)O)N1CCOCC1.
What is the InChIKey of (2R)-2-methyl-2-morpholin-4-ylbutanoic acid?
The InChIKey is QTLLHCKRRLPJFG-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-9(2,8(11)12)10-4-6-13-7-5-10/h3-7H2,1-2H3,(H,11,12)/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-2-morpholin-4-ylbutanoic acid?
(2R)-2-methyl-2-morpholin-4-ylbutanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 30030650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).