4-(2-carboxyethoxy)piperidine-1-carboxylic acid

C9H15NO5 — CID 154257989

IUPAC4-(2-carboxyethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)CCOC1CCN(C(=O)O)CC1
InChIInChI=1S/C9H15NO5/c11-8(12)3-6-15-7-1-4-10(5-2-7)9(13)14/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyXGVXMYQZZNPTJE-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.62
Rot. Bonds4

About 4-(2-carboxyethoxy)piperidine-1-carboxylic acid

4-(2-carboxyethoxy)piperidine-1-carboxylic acid (PubChem CID 154257989) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-(2-carboxyethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-carboxyethoxy)piperidine-1-carboxylic acid
PubChem CID154257989
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name4-(2-carboxyethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)CCOC1CCN(C(=O)O)CC1
InChIInChI=1S/C9H15NO5/c11-8(12)3-6-15-7-1-4-10(5-2-7)9(13)14/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyXGVXMYQZZNPTJE-UHFFFAOYSA-N
XLogP0.62
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875586
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
4-butoxypiperidine-1-carboxylic acid
CID 69380286
4-(3-oxopropoxy)piperidine-1-carboxylic acid
CID 176652743
3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 55251756
3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 63876085
3-cyclopentyloxypropanoic acid
CID 24706641
4-(4-bromobutoxy)piperidine-1-carboxylic acid
CID 22279485
3-[1-[2-(ethylamino)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63876082
3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63875309
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
3-[1-(3-methylsulfonylpropanoyl)piperidin-4-yl]oxypropanoic acid
CID 63876697

Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxyethoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-carboxyethoxy)piperidine-1-carboxylic acid (CID 154257989) is 4-(2-carboxyethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-carboxyethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-carboxyethoxy)piperidine-1-carboxylic acid is O=C(O)CCOC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-carboxyethoxy)piperidine-1-carboxylic acid?
The InChIKey is XGVXMYQZZNPTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c11-8(12)3-6-15-7-1-4-10(5-2-7)9(13)14/h7H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 4-(2-carboxyethoxy)piperidine-1-carboxylic acid?
4-(2-carboxyethoxy)piperidine-1-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carboxyethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 154257989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).