4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid

C13H21NO4 — CID 115438442

IUPAC4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)C1CCCC1
InChIInChI=1S/C13H21NO4/c15-11(10-3-1-2-4-10)14-9-13(12(16)17)5-7-18-8-6-13/h10H,1-9H2,(H,14,15)(H,16,17)
InChIKeyIPDCYRVIVWEQIN-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.17
Rot. Bonds4

About 4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid

4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid (PubChem CID 115438442) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
PubChem CID115438442
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)C1CCCC1
InChIInChI=1S/C13H21NO4/c15-11(10-3-1-2-4-10)14-9-13(12(16)17)5-7-18-8-6-13/h10H,1-9H2,(H,14,15)(H,16,17)
InChIKeyIPDCYRVIVWEQIN-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541675
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115439966
4-[[[4-(aminomethyl)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid
CID 104963723
4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 104914473
4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid
CID 107175835
4-[[(1-butanoylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542126
4-[[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541562
4-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120541873
1-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81369655
4-[[(2-methylazepane-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115440562
4-[[[2-[(1-methylsulfanylcyclobutyl)methylamino]-2-oxoacetyl]amino]methyl]oxane-4-carboxylic acid
CID 146092896

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid (CID 115438442) is 4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid is O=C(NCC1(C(=O)O)CCOCC1)C1CCCC1.
What is the InChIKey of 4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid?
The InChIKey is IPDCYRVIVWEQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-11(10-3-1-2-4-10)14-9-13(12(16)17)5-7-18-8-6-13/h10H,1-9H2,(H,14,15)(H,16,17).
What are the key properties of 4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid?
4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115438442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).