4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid

C15H25NO4 — CID 107175835

IUPAC4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCC1(C)CCCC1C(=O)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H25NO4/c1-14(2)5-3-4-11(14)12(17)16-10-15(13(18)19)6-8-20-9-7-15/h11H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyNZZPYWXHZUPUFQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.81
Rot. Bonds4

About 4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 107175835) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID107175835
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCC1(C)CCCC1C(=O)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H25NO4/c1-14(2)5-3-4-11(14)12(17)16-10-15(13(18)19)6-8-20-9-7-15/h11H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyNZZPYWXHZUPUFQ-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
CID 115438442
4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 104914473
N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide
CID 114170496
N-[4-(bromomethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide
CID 106300972
4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541675
4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115439966
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184438
4-[[[4-(aminomethyl)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid
CID 104963723
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
N-(4-bromobutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184530
4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542195
4-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439840

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid (CID 107175835) is 4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid is CC1(C)CCCC1C(=O)NCC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is NZZPYWXHZUPUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-14(2)5-3-4-11(14)12(17)16-10-15(13(18)19)6-8-20-9-7-15/h11H,3-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethylcyclopentanecarbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 107175835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).