1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid

C14H20N2O4 — CID 43351070

IUPAC1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1noc(C)c1CCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H20N2O4/c1-9-11(10(2)20-16-9)5-6-12(17)15-14(13(18)19)7-3-4-8-14/h3-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyPEIOHXKXMWCRCZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.74
Rot. Bonds5

About 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 43351070) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID43351070
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1noc(C)c1CCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H20N2O4/c1-9-11(10(2)20-16-9)5-6-12(17)15-14(13(18)19)7-3-4-8-14/h3-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyPEIOHXKXMWCRCZ-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877466
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544348
N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 47071392
1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 43351008
N-(3,3-dimethylcyclopentyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 115880663
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-azaspiro[3.4]octane-3-carboxylic acid
CID 126833542
1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43132383
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031474
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propanamide
CID 91817477
1-[3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoylamino]cyclohexane-1-carboxylic acid
CID 119125103
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120887952
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 86908068

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid (CID 43351070) is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid is Cc1noc(C)c1CCC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is PEIOHXKXMWCRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-11(10(2)20-16-9)5-6-12(17)15-14(13(18)19)7-3-4-8-14/h3-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid?
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).