2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid

C12H20N2O4 — CID 81134829

IUPAC2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)[C@@H]2CCCNC2)CCO1
InChIInChI=1S/C12H20N2O4/c15-11(16)6-10-8-14(4-5-18-10)12(17)9-2-1-3-13-7-9/h9-10,13H,1-8H2,(H,15,16)/t9-,10?/m1/s1
InChIKeyVFXQUTYARSEMQW-YHMJZVADSA-N
MW256.30 g/mol
LogP-0.31
Rot. Bonds3

About 2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid

2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 81134829) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid
PubChem CID81134829
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)[C@@H]2CCCNC2)CCO1
InChIInChI=1S/C12H20N2O4/c15-11(16)6-10-8-14(4-5-18-10)12(17)9-2-1-3-13-7-9/h9-10,13H,1-8H2,(H,15,16)/t9-,10?/m1/s1
InChIKeyVFXQUTYARSEMQW-YHMJZVADSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515362
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
2-[4-(2-methyl-2-piperidin-3-ylpropanoyl)morpholin-2-yl]acetic acid
CID 83200057
(2-methyl-1,4-oxazepan-4-yl)-[(3S)-piperidin-3-yl]methanone
CID 81141316
2-[4-(1-methylpyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420578
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 120527755
2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248008
1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
CID 81141474
2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-2-yl]acetic acid
CID 102893299
3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone
CID 121202092
2-[(2S)-4-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 129465906
[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 60963365

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid (CID 81134829) is 2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)[C@@H]2CCCNC2)CCO1.
What is the InChIKey of 2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is VFXQUTYARSEMQW-YHMJZVADSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-11(16)6-10-8-14(4-5-18-10)12(17)9-2-1-3-13-7-9/h9-10,13H,1-8H2,(H,15,16)/t9-,10?/m1/s1.
What are the key properties of 2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 81134829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).