3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

C11H15N3O4 — CID 81178610

IUPAC3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCc1ccon1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C11H15N3O4/c15-10(16)7-1-2-8(5-7)13-11(17)12-6-9-3-4-18-14-9/h3-4,7-8H,1-2,5-6H2,(H,15,16)(H2,12,13,17)
InChIKeyPGGDJNDAWVEDJP-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.73
Rot. Bonds4

About 3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 81178610) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID81178610
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCc1ccon1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C11H15N3O4/c15-10(16)7-1-2-8(5-7)13-11(17)12-6-9-3-4-18-14-9/h3-4,7-8H,1-2,5-6H2,(H,15,16)(H2,12,13,17)
InChIKeyPGGDJNDAWVEDJP-UHFFFAOYSA-N
XLogP0.73
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 106744445
cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320151
3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106005432
cis-(1R,3S)-3-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319772
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978996
3-[(4-bromophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033001
N-(1,2-oxazol-3-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 81173501
cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319718
3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66032039
1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 81178491
1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 96834732

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 81178610) is 3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCc1ccon1)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is PGGDJNDAWVEDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-10(16)7-1-2-8(5-7)13-11(17)12-6-9-3-4-18-14-9/h3-4,7-8H,1-2,5-6H2,(H,15,16)(H2,12,13,17).
What are the key properties of 3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81178610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).