formic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid

C14H24N2O5 — CID 154919755

IUPACformic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESCC1CCCN(CC(=O)NC2CC(C(=O)O)C2)C1.O=CO
InChIInChI=1S/C13H22N2O3.CH2O2/c1-9-3-2-4-15(7-9)8-12(16)14-11-5-10(6-11)13(17)18;2-1-3/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18);1H,(H,2,3)
InChIKeyICUXZVJEVQIDII-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.40
Rot. Bonds4

About formic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid

formic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 154919755) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is formic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Nameformic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID154919755
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Nameformic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESCC1CCCN(CC(=O)NC2CC(C(=O)O)C2)C1.O=CO
InChIInChI=1S/C13H22N2O3.CH2O2/c1-9-3-2-4-15(7-9)8-12(16)14-11-5-10(6-11)13(17)18;2-1-3/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18);1H,(H,2,3)
InChIKeyICUXZVJEVQIDII-UHFFFAOYSA-N
XLogP0.40
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylpiperidin-1-yl)acetohydrazide
CID 43906557
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
2-(3-acetylpiperidin-1-yl)-N-cyclohexylacetamide
CID 55256614
1-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030850
(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 39247341
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852
1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
N-cyclopropyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27444185
N-[(2R)-1-hydroxypropan-2-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 170258612
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904053
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
N-cyclopropyl-2-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]acetamide
CID 95576047

Frequently Asked Questions

What is the IUPAC name of formic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of formic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid (CID 154919755) is formic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for formic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for formic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid is CC1CCCN(CC(=O)NC2CC(C(=O)O)C2)C1.O=CO.
What is the InChIKey of formic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is ICUXZVJEVQIDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3.CH2O2/c1-9-3-2-4-15(7-9)8-12(16)14-11-5-10(6-11)13(17)18;2-1-3/h9-11H,2-8H2,1H3,(H,14,16)(H,17,18);1H,(H,2,3).
What are the key properties of formic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
formic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 300.35 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 154919755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).