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

C14H20N2O4 — CID 120675637

IUPACcis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1noc(C)c1CCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C14H20N2O4/c1-8-12(9(2)20-16-8)5-6-13(17)15-11-4-3-10(7-11)14(18)19/h10-11H,3-7H2,1-2H3,(H,15,17)(H,18,19)/t10-,11+/m0/s1
InChIKeyVBIVAPYJNDVFLD-WDEREUQCSA-N
MW280.32 g/mol
LogP1.59
Rot. Bonds5

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

cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120675637) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120675637
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namecis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1noc(C)c1CCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C14H20N2O4/c1-8-12(9(2)20-16-8)5-6-13(17)15-11-4-3-10(7-11)14(18)19/h10-11H,3-7H2,1-2H3,(H,15,17)(H,18,19)/t10-,11+/m0/s1
InChIKeyVBIVAPYJNDVFLD-WDEREUQCSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032108
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43389662
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide
CID 133131591
N-(3,3-dimethylcyclopentyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 115880663
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 94991534
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 106741905
4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79209013
cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320037
N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 119610269
cis-(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092556
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
CID 91626361
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylcyclohexyl)acetamide
CID 47161510

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid (CID 120675637) is cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid is Cc1noc(C)c1CCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is VBIVAPYJNDVFLD-WDEREUQCSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-8-12(9(2)20-16-8)5-6-13(17)15-11-4-3-10(7-11)14(18)19/h10-11H,3-7H2,1-2H3,(H,15,17)(H,18,19)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[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 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).