(3R)-4-methylmorpholine-3-carboxylic acid

C6H11NO3 — CID 66864905

IUPAC(3R)-4-methylmorpholine-3-carboxylic acid
SMILESCN1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C6H11NO3/c1-7-2-3-10-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyPJCXUSBLNCTAJP-RXMQYKEDSA-N
MW145.16 g/mol
LogP-0.60
Rot. Bonds1

About (3R)-4-methylmorpholine-3-carboxylic acid

(3R)-4-methylmorpholine-3-carboxylic acid (PubChem CID 66864905) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3R)-4-methylmorpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-methylmorpholine-3-carboxylic acid
PubChem CID66864905
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3R)-4-methylmorpholine-3-carboxylic acid
SMILESCN1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C6H11NO3/c1-7-2-3-10-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyPJCXUSBLNCTAJP-RXMQYKEDSA-N
XLogP-0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
(3S)-4-chloromorpholine-3-carboxylic acid
CID 121451605
4-(disulfanyl)morpholine-3-carboxylic acid
CID 174164325
4-(2-methylcyclobutyl)morpholine-3-carboxylic acid
CID 130555378
4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
CID 83017669
4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid
CID 103961433
(1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate
CID 75452277
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
butoxycarbonyl 4-methylmorpholine-3-carboxylate
CID 174915013
4-(3-methylpyrazin-2-yl)morpholine-3-carboxylic acid
CID 83064675
4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid
CID 112555118
bis([2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 4-methylmorpholine-3-carboxylate);[2,6-di(propan-2-yl)phenyl] 2-chloroacetate;4-methylmorpholine-3-carboxylic acid;dihydrochloride
CID 167547003

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methylmorpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-methylmorpholine-3-carboxylic acid (CID 66864905) is (3R)-4-methylmorpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-methylmorpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-methylmorpholine-3-carboxylic acid is CN1CCOC[C@@H]1C(=O)O.
What is the InChIKey of (3R)-4-methylmorpholine-3-carboxylic acid?
The InChIKey is PJCXUSBLNCTAJP-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7-2-3-10-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (3R)-4-methylmorpholine-3-carboxylic acid?
(3R)-4-methylmorpholine-3-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methylmorpholine-3-carboxylic acid is sourced from PubChem (CID 66864905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).