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

C17H27N3O5 — CID 119248813

IUPAC2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CCO1
InChIInChI=1S/C17H27N3O5/c21-15(22)11-14-12-20(9-10-25-14)16(23)13-3-7-19(8-4-13)17(24)18-5-1-2-6-18/h13-14H,1-12H2,(H,21,22)
InChIKeyIKZURUVCPXZJRY-UHFFFAOYSA-N
MW353.42 g/mol
LogP0.62
Rot. Bonds3

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

2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119248813) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119248813
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Name2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CCO1
InChIInChI=1S/C17H27N3O5/c21-15(22)11-14-12-20(9-10-25-14)16(23)13-3-7-19(8-4-13)17(24)18-5-1-2-6-18/h13-14H,1-12H2,(H,21,22)
InChIKeyIKZURUVCPXZJRY-UHFFFAOYSA-N
XLogP0.62
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434819
2-[4-(4-hydroxypiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433665
2-[4-(1-methylpyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420578
2-[4-(4-methylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66435209
2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515362
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 120527755
2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 81134829
2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434843
2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434691
2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248008
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
2-[(2S)-4-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 129465906

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid (CID 119248813) is 2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CCO1.
What is the InChIKey of 2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is IKZURUVCPXZJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c21-15(22)11-14-12-20(9-10-25-14)16(23)13-3-7-19(8-4-13)17(24)18-5-1-2-6-18/h13-14H,1-12H2,(H,21,22).
What are the key properties of 2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 353.42 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).