3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

C13H23NO4 — CID 103550835

IUPAC3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOCC(NC(=O)C1CCC(C(=O)O)C1)C(C)C
InChIInChI=1S/C13H23NO4/c1-8(2)11(7-18-3)14-12(15)9-4-5-10(6-9)13(16)17/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyLCCYWUOFFOKDNF-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.27
Rot. Bonds6

About 3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550835) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550835
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOCC(NC(=O)C1CCC(C(=O)O)C1)C(C)C
InChIInChI=1S/C13H23NO4/c1-8(2)11(7-18-3)14-12(15)9-4-5-10(6-9)13(16)17/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyLCCYWUOFFOKDNF-UHFFFAOYSA-N
XLogP1.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 105907722
cis-(1S,3R)-3-(4,4,4-trifluorobutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105928589
3-(4,4,4-Trifluorobutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105928599
3-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113829375
cis-(1S,3R)-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092359
cis-(1S,3R)-3-[2-(2,2-difluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114127107
cis-(1R,3S)-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 121653127
cis-(1S,3R)-3-[1-(2,2,2-trifluoroethoxy)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 121981531
cis-(1S,3R)-3-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 121981783
2-[1-[2-[(1-Methoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 4387868
2-[1-[2-[(1-Methoxy-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 4387869
2-[1-[2-[(1-Methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 4387870

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550835) is 3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is COCC(NC(=O)C1CCC(C(=O)O)C1)C(C)C.
What is the InChIKey of 3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is LCCYWUOFFOKDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-8(2)11(7-18-3)14-12(15)9-4-5-10(6-9)13(16)17/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).