4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid

C12H19NO4 — CID 107175660

IUPAC4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1CCCC1C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H19NO4/c1-7-3-2-4-8(7)11(14)13-10-6-17-5-9(10)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyYAMSJFJETYGXFI-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.64
Rot. Bonds3

About 4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid

4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 107175660) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
PubChem CID107175660
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1CCCC1C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H19NO4/c1-7-3-2-4-8(7)11(14)13-10-6-17-5-9(10)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyYAMSJFJETYGXFI-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
2-methyl-N-(oxetan-3-yl)cyclopentane-1-carboxamide
CID 107180280
2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 66257764
4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238773
4-(ethylamino)-N-(2-methylcyclohexyl)oxolane-3-carboxamide
CID 66259421
3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175667
4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid
CID 66223983
4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
CID 66238925
4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239762
4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661
4-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239382
4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79877784

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid (CID 107175660) is 4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid is CC1CCCC1C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is YAMSJFJETYGXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7-3-2-4-8(7)11(14)13-10-6-17-5-9(10)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107175660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).