cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

C14H20N2O4 — CID 106370173

IUPACcis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCCc1cnc(CNC(=O)[C@H]2CC(C)C[C@H]2C(=O)O)o1
InChIInChI=1S/C14H20N2O4/c1-3-9-6-15-12(20-9)7-16-13(17)10-4-8(2)5-11(10)14(18)19/h6,8,10-11H,3-5,7H2,1-2H3,(H,16,17)(H,18,19)/t8?,10-,11+/m0/s1
InChIKeyHGWJTEIQNBYVPG-JCBFREDQSA-N
MW280.32 g/mol
LogP1.60
Rot. Bonds5

About cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 106370173) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID106370173
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namecis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCCc1cnc(CNC(=O)[C@H]2CC(C)C[C@H]2C(=O)O)o1
InChIInChI=1S/C14H20N2O4/c1-3-9-6-15-12(20-9)7-16-13(17)10-4-8(2)5-11(10)14(18)19/h6,8,10-11H,3-5,7H2,1-2H3,(H,16,17)(H,18,19)/t8?,10-,11+/m0/s1
InChIKeyHGWJTEIQNBYVPG-JCBFREDQSA-N
XLogP1.60
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid with MolForge

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Related Compounds

1-[(3S,4S)-5-acetamido-4-methyl-3-(1,3-oxazol-5-yl)hexyl]cyclopentane-1-carboxylic acid
CID 70027530
3-[(5-Tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 63044253
1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178666
1-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178667
N-[(5-cyclopentyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65179269
N-[[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181315
N-[[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181362
N-[(5-cyclopentyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181402
N-[[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181932
N-[[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181978
3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65182000
N-[[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183800

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 106370173) is cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is CCc1cnc(CNC(=O)[C@H]2CC(C)C[C@H]2C(=O)O)o1.
What is the InChIKey of cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is HGWJTEIQNBYVPG-JCBFREDQSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-9-6-15-12(20-9)7-16-13(17)10-4-8(2)5-11(10)14(18)19/h6,8,10-11H,3-5,7H2,1-2H3,(H,16,17)(H,18,19)/t8?,10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 106370173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).