2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid

C13H22N2O5 — CID 66434843

IUPAC2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N2CCCC(CO)C2)CCO1
InChIInChI=1S/C13H22N2O5/c16-9-10-2-1-3-14(7-10)13(19)15-4-5-20-11(8-15)6-12(17)18/h10-11,16H,1-9H2,(H,17,18)
InChIKeyYQWDWJOXYZZRFI-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.01
Rot. Bonds3

About 2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid

2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 66434843) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
PubChem CID66434843
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N2CCCC(CO)C2)CCO1
InChIInChI=1S/C13H22N2O5/c16-9-10-2-1-3-14(7-10)13(19)15-4-5-20-11(8-15)6-12(17)18/h10-11,16H,1-9H2,(H,17,18)
InChIKeyYQWDWJOXYZZRFI-UHFFFAOYSA-N
XLogP-0.01
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
2-[4-(4-hydroxypiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433665
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
2-[4-(4-methylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66435209
2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 103536464
2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434691
2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434819
2-[4-(2,3-dimethylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434882
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66433529
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
CID 61201618

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid (CID 66434843) is 2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)N2CCCC(CO)C2)CCO1.
What is the InChIKey of 2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is YQWDWJOXYZZRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c16-9-10-2-1-3-14(7-10)13(19)15-4-5-20-11(8-15)6-12(17)18/h10-11,16H,1-9H2,(H,17,18).
What are the key properties of 2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).